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Azaspirodecane derivatives

Organic heterocyclic compounds that are derived from azaspirodecane; azaspirodecane consists of a 10-member bicycle with nine carbon atoms, one nitrogen atom, and seventeen hydrogen atoms with the formula: C9H17N.
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1 – 13 of 13 results
1

1,4-Dioxa-8-azaspiro[4.5]decane, 98%

CAS: 177-11-7 Molecular Formula: C7H14NO2 Molecular Weight (g/mol): 144.19 MDL Number: MFCD00005976 InChI Key: KPKNTUUIEVXMOH-UHFFFAOYSA-O Synonym: 1,4-dioxa-8-azaspiro 4.5 decane,4-piperidone ethylene ketal,4-piperidinone ethyl ketal,4-piperidone-ethylene ketal,4-piperidone ethylene acetal,1,4-dioxa-8-azaspiro 4,5 decane,4-piperidoneethyleneketal,piperidone-4-ethyleneketal,1,4-dioxa-8-aza-spiro 4.5 decane PubChem CID: 67435 IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decane SMILES: C1COC2(CC[NH2+]CC2)O1

PubChem CID 67435
CAS 177-11-7
Molecular Weight (g/mol) 144.19
MDL Number MFCD00005976
SMILES C1COC2(CC[NH2+]CC2)O1
Synonym 1,4-dioxa-8-azaspiro 4.5 decane,4-piperidone ethylene ketal,4-piperidinone ethyl ketal,4-piperidone-ethylene ketal,4-piperidone ethylene acetal,1,4-dioxa-8-azaspiro 4,5 decane,4-piperidoneethyleneketal,piperidone-4-ethyleneketal,1,4-dioxa-8-aza-spiro 4.5 decane
IUPAC Name 1,4-dioxa-8-azaspiro[4.5]decane
InChI Key KPKNTUUIEVXMOH-UHFFFAOYSA-O
Molecular Formula C7H14NO2
2

3,3-Pentamethylene Glutarimide, TRC

CAS: 1130-32-1 Molecular Formula: C10 H15 N O2 Molecular Weight (g/mol): 181.23 Synonym: 3-Azaspiro[5.5]undecane-2,4-dione,1,1-Cyclohexanediacetimide (6CI,7CI,8CI),2,4-Dioxo-3-azaspiro[5.5]undecane,3,3-Cyclopentane glutarimide,NSC 400093,3,3-Pentamethyleneglutarimide IUPAC Name: 3-azaspiro[5.5]undecane-2,4-dione SMILES: O=C1CC2(CCCCC2)CC(=O)N1

CAS 1130-32-1
Molecular Weight (g/mol) 181.23
SMILES O=C1CC2(CCCCC2)CC(=O)N1
Synonym 3-Azaspiro[5.5]undecane-2,4-dione,1,1-Cyclohexanediacetimide (6CI,7CI,8CI),2,4-Dioxo-3-azaspiro[5.5]undecane,3,3-Cyclopentane glutarimide,NSC 400093,3,3-Pentamethyleneglutarimide
IUPAC Name 3-azaspiro[5.5]undecane-2,4-dione
Molecular Formula C10 H15 N O2
3

8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione, TRC

CAS: 21098-11-3 Chemical Name or Material: 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione Formula Weight: 257.1183 InChI Formula: InChI=1S/C13H20ClNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2 IUPAC Name: 8-(4-chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione Molecular Formula: C13 H20 Cl N O2 Molecular Weight (g/mol): 257.76 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: ClCCCCN1C(=O)CC2(CCCC2)CC1=O Synonym: 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione,Buspirone Hydrochloride Imp. L (EP)

Percent Purity >95%
CAS 21098-11-3
Molecular Weight (g/mol) 257.76
InChI Formula InChI=1S/C13H20ClNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
Chemical Name or Material 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione
Synonym 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione,Buspirone Hydrochloride Imp. L (EP)
SMILES ClCCCCN1C(=O)CC2(CCCC2)CC1=O
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C13 H20 Cl N O2
IUPAC Name 8-(4-chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione
Formula Weight 257.1183
5

Venlafaxine Cyclic Impurity, TRC

CAS: 93413-70-8 Molecular Formula: C17 H25 N O2 Molecular Weight (g/mol): 275.39 Synonym: Venlafaxine EP Impurity E IUPAC Name: 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane SMILES: COc1ccc(cc1)C2CN(C)COC23CCCCC3

CAS 93413-70-8
Molecular Weight (g/mol) 275.39
SMILES COc1ccc(cc1)C2CN(C)COC23CCCCC3
Synonym Venlafaxine EP Impurity E
IUPAC Name 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
Molecular Formula C17 H25 N O2
6

Fenspiride Hydrochloride, TRC

CAS: 5053-08-7 Chemical Name or Material: Fenspiride Hydrochloride Formula Weight: 296.1292 InChI Formula: InChI=1S/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H IUPAC Name: 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride Molecular Formula: C15 H20 N2 O2 . Cl H Molecular Weight (g/mol): 296.79 Recommended Storage: +4°C SMILES: Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 Synonym: 1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(2-phenylethyl)-, hydrochloride (1:1),1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(2-phenylethyl)-, monohydrochloride (9CI),1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-phenethyl-, monohydrochloride (8CI),8-Phenethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride,Decaspir,Decaspiride,Erespal,Fenspiride hydrochloride,Fluiden,JP 428,NAT 333,NDR 5998A,Pneumorel,Tegencia,Viarespan

CAS 5053-08-7
Molecular Weight (g/mol) 296.79
InChI Formula InChI=1S/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H
Chemical Name or Material Fenspiride Hydrochloride
Synonym 1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(2-phenylethyl)-, hydrochloride (1:1),1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(2-phenylethyl)-, monohydrochloride (9CI),1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-phenethyl-, monohydrochloride (8CI),8-Phenethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride,Decaspir,Decaspiride,Erespal,Fenspiride hydrochloride,Fluiden,JP 428,NAT 333,NDR 5998A,Pneumorel,Tegencia,Viarespan
SMILES Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1
Recommended Storage +4°C
Molecular Formula C15 H20 N2 O2 . Cl H
IUPAC Name 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
Formula Weight 296.1292
7

Cevimeline N,S-dioxide (Mixture of diastereomers), TRC

Molecular Formula: C10 H17 N O3 S Molecular Weight (g/mol): 231.312 Synonym: (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide IUPAC Name: (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] 3-oxide SMILES: C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3

Molecular Weight (g/mol) 231.312
SMILES C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3
Synonym (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide
IUPAC Name (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] 3-oxide
Molecular Formula C10 H17 N O3 S
8

Cevimeline N-Oxide, TRC

CAS: 469890-14-0 Molecular Formula: C10 H17 N O2 S Molecular Weight (g/mol): 215.31 Synonym: (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide IUPAC Name: (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] SMILES: C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3

CAS 469890-14-0
Molecular Weight (g/mol) 215.31
SMILES C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3
Synonym (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide
IUPAC Name (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane]
Molecular Formula C10 H17 N O2 S
9

Fenspiride N-Oxide, TRC

CAS: 210690-26-9 Chemical Name or Material: Fenspiride N-Oxide InChI Formula: InChI=1S/C15H20N2O3/c18-14-16-12-15(20-14)7-10-17(19,11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18) Molecular Formula: C15H20N2O3 Molecular Weight (g/mol): 276.33 Recommended Storage: +4°C SMILES: [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3 Synonym: trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide;

CAS 210690-26-9
Molecular Weight (g/mol) 276.33
InChI Formula InChI=1S/C15H20N2O3/c18-14-16-12-15(20-14)7-10-17(19,11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
Chemical Name or Material Fenspiride N-Oxide
Synonym trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide;
SMILES [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3
Recommended Storage +4°C
Molecular Formula C15H20N2O3
11

3,3-Tetramethyleneglutarimide, 98%, Thermo Scientific™

CAS: 1075-89-4 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00023871 InChI Key: YRTHJMQKDCXPAY-UHFFFAOYSA-N Synonym: 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616 PubChem CID: 136843 IUPAC Name: 8-azaspiro[4.5]decane-7,9-dione SMILES: C1CCC2(C1)CC(=O)NC(=O)C2

PubChem CID 136843
CAS 1075-89-4
Molecular Weight (g/mol) 167.208
MDL Number MFCD00023871
SMILES C1CCC2(C1)CC(=O)NC(=O)C2
Synonym 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616
IUPAC Name 8-azaspiro[4.5]decane-7,9-dione
InChI Key YRTHJMQKDCXPAY-UHFFFAOYSA-N
Molecular Formula C9H13NO2
12

4-Piperidone ethylene ketal, 98+%

CAS: 177-11-7 Molecular Formula: C7H14NO2 Molecular Weight (g/mol): 144.19 MDL Number: MFCD00005976 InChI Key: KPKNTUUIEVXMOH-UHFFFAOYSA-O Synonym: 1,4-dioxa-8-azaspiro 4.5 decane,4-piperidone ethylene ketal,4-piperidinone ethyl ketal,4-piperidone-ethylene ketal,4-piperidone ethylene acetal,1,4-dioxa-8-azaspiro 4,5 decane,4-piperidoneethyleneketal,piperidone-4-ethyleneketal,1,4-dioxa-8-aza-spiro 4.5 decane PubChem CID: 67435 SMILES: C1COC2(CC[NH2+]CC2)O1

PubChem CID 67435
CAS 177-11-7
Molecular Weight (g/mol) 144.19
MDL Number MFCD00005976
SMILES C1COC2(CC[NH2+]CC2)O1
Synonym 1,4-dioxa-8-azaspiro 4.5 decane,4-piperidone ethylene ketal,4-piperidinone ethyl ketal,4-piperidone-ethylene ketal,4-piperidone ethylene acetal,1,4-dioxa-8-azaspiro 4,5 decane,4-piperidoneethyleneketal,piperidone-4-ethyleneketal,1,4-dioxa-8-aza-spiro 4.5 decane
InChI Key KPKNTUUIEVXMOH-UHFFFAOYSA-O
Molecular Formula C7H14NO2
13

3,3-Pentamethylene glutarimide, ≥98%, Thermo Scientific™

CAS: 1130-32-1 Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.235 MDL Number: MFCD00023872 InChI Key: FNIPRNMPSXNBDI-UHFFFAOYSA-N Synonym: 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid PubChem CID: 14324 IUPAC Name: 3-azaspiro[5.5]undecane-2,4-dione SMILES: C1CCC2(CC1)CC(=O)NC(=O)C2

PubChem CID 14324
CAS 1130-32-1
Molecular Weight (g/mol) 181.235
MDL Number MFCD00023872
SMILES C1CCC2(CC1)CC(=O)NC(=O)C2
Synonym 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid
IUPAC Name 3-azaspiro[5.5]undecane-2,4-dione
InChI Key FNIPRNMPSXNBDI-UHFFFAOYSA-N
Molecular Formula C10H15NO2