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Tetralins

Bicyclic hydrocarbon compounds that consist of ten carbon atoms and twelve hydrogen atoms linearly fused into two rings, where one ring is a benzene.

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1

(1R,4R)-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 675126-09-7 Molecular Formula: C16 H15 Cl2 N . Cl H Molecular Weight (g/mol): 328.66 Synonym: 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride (1:1), (1R,4R)-,1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride, (1R,4R)- (9CI),(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(1R,4R)-N-Desmethylsertraline hydrochloride,(1R,4R)-N-Desmethyl sertraline hydrochloride,(1R,4R)-Norsertraline hydrochloride IUPAC Name: (1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMILES: Cl.N[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

CAS 675126-09-7
Molecular Weight (g/mol) 328.66
SMILES Cl.N[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
Synonym 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride (1:1), (1R,4R)-,1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride, (1R,4R)- (9CI),(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(1R,4R)-N-Desmethylsertraline hydrochloride,(1R,4R)-N-Desmethyl sertraline hydrochloride,(1R,4R)-Norsertraline hydrochloride
IUPAC Name (1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular Formula C16 H15 Cl2 N . Cl H
2

rac-cis-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 91797-57-8 Molecular Formula: C16 H15 Cl2 N . Cl H Molecular Weight (g/mol): 328.66 Synonym: (±)-cis-N-Desmethylsertraline Hydrochloride,cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(±)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,rac-Norsertraline Hydrochloride IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMILES: Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

CAS 91797-57-8
Molecular Weight (g/mol) 328.66
SMILES Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
Synonym (±)-cis-N-Desmethylsertraline Hydrochloride,cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(±)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,rac-Norsertraline Hydrochloride
IUPAC Name (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular Formula C16 H15 Cl2 N . Cl H
3

(1S,4S)-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 675126-10-0 Molecular Formula: C16 H15 Cl2 N . Cl H Molecular Weight (g/mol): 328.66 Synonym: Norsertraline Hydrochloride,(1S,4S)-N-Desmethylsertraline Hydrochloride IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMILES: Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

CAS 675126-10-0
Molecular Weight (g/mol) 328.66
SMILES Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
Synonym Norsertraline Hydrochloride,(1S,4S)-N-Desmethylsertraline Hydrochloride
IUPAC Name (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular Formula C16 H15 Cl2 N . Cl H
7

Tamibarotene

CAS: 94497-51-5 Molecular Formula: C22H25NO3 Molecular Weight (g/mol): 351.45 MDL Number: MFCD00866188 InChI Key: MUTNCGKQJGXKEM-UHFFFAOYSA-N Synonym: tamibarotene,retinobenzoic acid,4-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl carbamoyl benzoic acid,amnolake,tamibaro,amnoid,unii-08v52gz3h9,4-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl carbamoyl benzoic acid,chembl25202 PubChem CID: 108143 ChEBI: CHEBI:32181 IUPAC Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid SMILES: CC1(C)CCC(C)(C)C2=CC(NC(=O)C3=CC=C(C=C3)C(O)=O)=CC=C12

PubChem CID 108143
CAS 94497-51-5
Molecular Weight (g/mol) 351.45
ChEBI CHEBI:32181
MDL Number MFCD00866188
SMILES CC1(C)CCC(C)(C)C2=CC(NC(=O)C3=CC=C(C=C3)C(O)=O)=CC=C12
Synonym tamibarotene,retinobenzoic acid,4-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl carbamoyl benzoic acid,amnolake,tamibaro,amnoid,unii-08v52gz3h9,4-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl carbamoyl benzoic acid,chembl25202
IUPAC Name 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
InChI Key MUTNCGKQJGXKEM-UHFFFAOYSA-N
Molecular Formula C22H25NO3
8

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthaline, Technical Grade, Thermo Scientific™

CAS: 6683-46-1 Molecular Formula: C14H20 Molecular Weight (g/mol): 188.31 MDL Number: MFCD00052728 InChI Key: CCQKWSZYTOCEIB-UHFFFAOYSA-N PubChem CID: 81186 IUPAC Name: 1,1,4,4-tetramethyl-2,3-dihydronaphthalene SMILES: CC1(C)CCC(C)(C)C2=CC=CC=C12

PubChem CID 81186
CAS 6683-46-1
Molecular Weight (g/mol) 188.31
MDL Number MFCD00052728
SMILES CC1(C)CCC(C)(C)C2=CC=CC=C12
IUPAC Name 1,1,4,4-tetramethyl-2,3-dihydronaphthalene
InChI Key CCQKWSZYTOCEIB-UHFFFAOYSA-N
Molecular Formula C14H20
9

6-Bromo-1-tetralone, 96%, Thermo Scientific Chemicals

CAS: 66361-67-9 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.09 MDL Number: MFCD04114378 InChI Key: OSDHOOBPMBLALZ-UHFFFAOYSA-N Synonym: 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone PubChem CID: 10105069 IUPAC Name: 6-bromo-3,4-dihydro-2H-naphthalen-1-one SMILES: BrC1=CC2=C(C=C1)C(=O)CCC2

PubChem CID 10105069
CAS 66361-67-9
Molecular Weight (g/mol) 225.09
MDL Number MFCD04114378
SMILES BrC1=CC2=C(C=C1)C(=O)CCC2
Synonym 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone
IUPAC Name 6-bromo-3,4-dihydro-2H-naphthalen-1-one
InChI Key OSDHOOBPMBLALZ-UHFFFAOYSA-N
Molecular Formula C10H9BrO
10

6-Acetyl-1,2,3,4-tetrahydronaphthalene, 97%

CAS: 774-55-0 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.24 MDL Number: MFCD00019710 InChI Key: VEPUKHYQNXSSKV-UHFFFAOYSA-N Synonym: 1-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,6-acetyltetralin,6-acetyl tetralin,ethanone, 1-5,6,7,8-tetrahydro-2-naphthalenyl,unii-6l3dbr6de6,6-acetyl-1,2,3,4-tetrahydronaphthalene,5,6,7,8-tetrahydro-2-acetonaphthone,6l3dbr6de6,6-acetyltetrahydronaphthalene,1-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one PubChem CID: 69885 SMILES: CC(=O)C1=CC=C2CCCCC2=C1

PubChem CID 69885
CAS 774-55-0
Molecular Weight (g/mol) 174.24
MDL Number MFCD00019710
SMILES CC(=O)C1=CC=C2CCCCC2=C1
Synonym 1-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,6-acetyltetralin,6-acetyl tetralin,ethanone, 1-5,6,7,8-tetrahydro-2-naphthalenyl,unii-6l3dbr6de6,6-acetyl-1,2,3,4-tetrahydronaphthalene,5,6,7,8-tetrahydro-2-acetonaphthone,6l3dbr6de6,6-acetyltetrahydronaphthalene,1-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one
InChI Key VEPUKHYQNXSSKV-UHFFFAOYSA-N
Molecular Formula C12H14O
11

6-Methoxy-1-tetralone, 99%

CAS: 1078-19-9 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00001695 InChI Key: MNALUTYMBUBKNX-UHFFFAOYSA-N Synonym: 6-methoxy-1-tetralone,6-methoxy-3,4-dihydronaphthalen-1 2h-one,6-methoxytetralone,6-methoxy-alpha-tetralone,1 2h-naphthalenone, 3,4-dihydro-6-methoxy,6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,6-methoxy-3,4-dihydro-1 2h-naphthalenone,6-methoxytetralin-1-one,3,4-dihydro-6-methoxy-1 2h-naphthalenone,6-methoxy-.alpha.-tetralone PubChem CID: 14112 IUPAC Name: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one SMILES: COC1=CC2=C(C=C1)C(=O)CCC2

PubChem CID 14112
CAS 1078-19-9
Molecular Weight (g/mol) 176.215
MDL Number MFCD00001695
SMILES COC1=CC2=C(C=C1)C(=O)CCC2
Synonym 6-methoxy-1-tetralone,6-methoxy-3,4-dihydronaphthalen-1 2h-one,6-methoxytetralone,6-methoxy-alpha-tetralone,1 2h-naphthalenone, 3,4-dihydro-6-methoxy,6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,6-methoxy-3,4-dihydro-1 2h-naphthalenone,6-methoxytetralin-1-one,3,4-dihydro-6-methoxy-1 2h-naphthalenone,6-methoxy-.alpha.-tetralone
IUPAC Name 6-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI Key MNALUTYMBUBKNX-UHFFFAOYSA-N
Molecular Formula C11H12O2
12

1-Tetralone, 97%

CAS: 529-34-0 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001688 InChI Key: XHLHPRDBBAGVEG-UHFFFAOYSA-N Synonym: alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone PubChem CID: 10724 IUPAC Name: 3,4-dihydro-2H-naphthalen-1-one SMILES: O=C1CCCC2=CC=CC=C12

PubChem CID 10724
CAS 529-34-0
Molecular Weight (g/mol) 146.19
MDL Number MFCD00001688
SMILES O=C1CCCC2=CC=CC=C12
Synonym alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone
IUPAC Name 3,4-dihydro-2H-naphthalen-1-one
InChI Key XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molecular Formula C10H10O
13

1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 17610-21-8 Molecular Formula: C16H22O Molecular Weight (g/mol): 230.351 InChI Key: IHUSZOMIBSDQTB-UHFFFAOYSA-N Synonym: 1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one,1,1,4,4-tetramethyl-6-acetyltetralin,1-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethanone,6-acetyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene,2-acetyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene,6-acetyl-1,1,4,4-tetramethyltetralin,6-acetyl-1,1,4,4-tetra-methyl-tetralin,1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-6-acetylnaphthalene PubChem CID: 2747562 IUPAC Name: 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C

PubChem CID 2747562
CAS 17610-21-8
Molecular Weight (g/mol) 230.351
SMILES CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C
Synonym 1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one,1,1,4,4-tetramethyl-6-acetyltetralin,1-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethanone,6-acetyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene,2-acetyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene,6-acetyl-1,1,4,4-tetramethyltetralin,6-acetyl-1,1,4,4-tetra-methyl-tetralin,1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-6-acetylnaphthalene
IUPAC Name 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
InChI Key IHUSZOMIBSDQTB-UHFFFAOYSA-N
Molecular Formula C16H22O
14

1,2,3,4-Tetrahydro-2-naphthylamine, 97%, Thermo Scientific Chemicals

CAS: 2954-50-9 Molecular Formula: C10H13N Molecular Weight (g/mol): 147.221 MDL Number: MFCD00045577 InChI Key: LCGFVWKNXLRFIF-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-2-naphthylamine,2-aminotetralin,2-naphthalenamine, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro-2-naphthalenamine,1,2,3,4-tetrahydro-naphthalen-2-ylamine,chembl30294,2-1,2,3,4-tetrahydronaphthylamine,2-amino-1,2,3,4-tetrahydronaphthalene,2-amino-tetralin,tetralin-2-amine PubChem CID: 34677 IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-amine SMILES: C1CC2=CC=CC=C2CC1N

PubChem CID 34677
CAS 2954-50-9
Molecular Weight (g/mol) 147.221
MDL Number MFCD00045577
SMILES C1CC2=CC=CC=C2CC1N
Synonym 1,2,3,4-tetrahydro-2-naphthylamine,2-aminotetralin,2-naphthalenamine, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro-2-naphthalenamine,1,2,3,4-tetrahydro-naphthalen-2-ylamine,chembl30294,2-1,2,3,4-tetrahydronaphthylamine,2-amino-1,2,3,4-tetrahydronaphthalene,2-amino-tetralin,tetralin-2-amine
IUPAC Name 1,2,3,4-tetrahydronaphthalen-2-amine
InChI Key LCGFVWKNXLRFIF-UHFFFAOYSA-N
Molecular Formula C10H13N
15

6,7-Dimethoxy-1-tetralone, 97%

CAS: 13575-75-2 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00134100 InChI Key: YNNJHKOXXBIJKK-UHFFFAOYSA-N Synonym: 6,7-dimethoxy-1-tetralone,6,7-dimethoxy-3,4-dihydronaphthalen-1 2h-one,6,7-dimethoxytetralin-1-one,6,7-dimethoxy-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 3,4-dihydro-6,7-dimethoxy,3,4-dihydro-6,7-dimethoxynaphthalen-1 2h-one,6,7-dimethoxy-2,3,4-trihydronaphthalen-1-one,7-dimethoxy,4-dihydro-6,zlchem 843 PubChem CID: 266816 IUPAC Name: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one SMILES: COC1=CC2=C(C=C1OC)C(=O)CCC2

PubChem CID 266816
CAS 13575-75-2
Molecular Weight (g/mol) 206.24
MDL Number MFCD00134100
SMILES COC1=CC2=C(C=C1OC)C(=O)CCC2
Synonym 6,7-dimethoxy-1-tetralone,6,7-dimethoxy-3,4-dihydronaphthalen-1 2h-one,6,7-dimethoxytetralin-1-one,6,7-dimethoxy-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 3,4-dihydro-6,7-dimethoxy,3,4-dihydro-6,7-dimethoxynaphthalen-1 2h-one,6,7-dimethoxy-2,3,4-trihydronaphthalen-1-one,7-dimethoxy,4-dihydro-6,zlchem 843
IUPAC Name 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
InChI Key YNNJHKOXXBIJKK-UHFFFAOYSA-N
Molecular Formula C12H14O3