N-Cyanonorbuprenorphine 3-methyl ether

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36N2O4
Molecular Weight	452.5857
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Cyanonorbuprenorphine 3-methyl ether

Structure Search

SMILES

COC1=C2O[C@@H]3[C@]45CCN(C#N)[C@H](CC(C=C1)=C24)[C@]56CC[C@@]3(OC)[C@H](C6)[C@](C)(O)C(C)(C)C

InChI

InChIKey=BNIUSDKOHBJDSD-VFERFCJDSA-N

InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18-,19-,22-,24+,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36N2O4
Molecular Weight	452.5857
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:16:26 GMT 2025` Edited by `admin` on `Wed Apr 02 20:16:26 GMT 2025`
Record UNII	KG39DS8EEH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Cyanonorbuprenorphine 3-methyl ether

Common Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Preferred Name

English

(5?,7?)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile

Systematic Name

English

N-Cyano-3-O-methyl Norbuprenorphine

Common Name

English

6,14-endo-Ethanotetrahydrothebaine, 17-cyano-17-demethyl-7?-(1-hydroxy-1,2,2-trimethylpropyl)-

Systematic Name

English

(1S,2S,6R,14R,15R,16R)-16-(2-Hydroxy-3,3-dimethylbutan-2-yl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene-5-carbonitrile

Systematic Name

English

6,14-Ethenomorphinan-17-carbonitrile, 4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-, (5?,7?)-

Systematic Name

English

BUPRENORPHINE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30631487

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

PUBCHEM

13324144

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

CAS

16614-60-1

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

FDA UNII

KG39DS8EEH

Created by admin on Wed Apr 02 20:16:26 GMT 2025 , Edited by admin on Wed Apr 02 20:16:26 GMT 2025

PRIMARY

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