N-(3-N-Butyl)norbuprenorphine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H43NO4
Molecular Weight	469.656
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(3-N-Butyl)norbuprenorphine

Structure Search

SMILES

CCCCN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]26CC[C@@]4(OC)[C@H](C6)[C@](C)(O)C(C)(C)C)=C35

InChI

InChIKey=XIROWXSHVUJQLM-IHFGGWKQSA-N

InChI=1S/C29H43NO4/c1-7-8-14-30-15-13-28-22-18-9-10-19(31)23(22)34-24(28)29(33-6)12-11-27(28,21(30)16-18)17-20(29)26(5,32)25(2,3)4/h9-10,20-21,24,31-32H,7-8,11-17H2,1-6H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H43NO4
Molecular Weight	469.656
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 `Mon Mar 31 23:27:59 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:59 GMT 2025`
Record UNII	2CCA2UA7DQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(3-N-Butyl)norbuprenorphine

Common Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]

Preferred Name

English

Buprenorphine EP Impurity H

Common Name

English

(2S)-2-[17-butyl-4,5?-epoxy-3-hydroxy-6-methoxy-6?,14-ethano-14?-morphinan-7?-yl]3,3-dimethylbutan-2-ol

Systematic Name

English

6,14-Ethenomorphinan-7-methanol, 17-butyl-?-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?-methyl-, [5?,7?(S)]-

Systematic Name

English

BUPRENORPHINE IMPURITY H [EP IMPURITY]

Common Name

English

(?S,5?,7?)-17-Butyl-?-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?-methyl-6,14-ethenomorphinan-7-methanol

Systematic Name

English

6,14-Ethenomorphinan-7-methanol, 17-butyl-?-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?-methyl-, (?S,5?,7?)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

130222935

Created by admin on Mon Mar 31 23:28:00 GMT 2025 , Edited by admin on Mon Mar 31 23:28:00 GMT 2025

PRIMARY

FDA UNII

2CCA2UA7DQ

Created by admin on Mon Mar 31 23:28:00 GMT 2025 , Edited by admin on Mon Mar 31 23:28:00 GMT 2025

PRIMARY

CAS

90387-35-2

Created by admin on Mon Mar 31 23:28:00 GMT 2025 , Edited by admin on Mon Mar 31 23:28:00 GMT 2025

PRIMARY

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