Buprenorphine 2,2’-dimer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H80N2O8
Molecular Weight	933.2644
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4CC5=C6C(O[C@@H]2[C@@]36CCN4CC7CC7)=C(O)C(=C5)C8=CC9=C%10C(O[C@@H]%11[C@]%10%12CCN(CC%13CC%13)[C@H](C9)[C@]%12%14CC[C@@]%11(OC)[C@H](C%14)[C@](C)(O)C(C)(C)C)=C8O

InChI

InChIKey=IIKJUPFUFVJKHV-XXSTYBPCSA-N

InChI=1S/C58H80N2O8/c1-49(2,3)51(7,63)37-27-53-15-17-57(37,65-9)47-55(53)19-21-59(29-31-11-12-31)39(53)25-33-23-35(43(61)45(67-47)41(33)55)36-24-34-26-40-54-16-18-58(66-10,38(28-54)52(8,64)50(4,5)6)48-56(54,42(34)46(68-48)44(36)62)20-22-60(40)30-32-13-14-32/h23-24,31-32,37-40,47-48,61-64H,11-22,25-30H2,1-10H3/t37-,38-,39-,40-,47-,48-,51+,52+,53-,54-,55+,56+,57-,58-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C58H80N2O8
Molecular Weight	933.2644
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:00:55 GMT 2025` Edited by `admin` on `Wed Apr 02 20:00:55 GMT 2025`
Record UNII	43MH6YYF5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Buprenorphine 2,2’-dimer

Common Name

English

6?,14-ethano-14?-morphinan

Preferred Name

English

17,17?-di(cyclopropylmethyl)-4,5?;4?,5??-diepoxy-7?,7??-di[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6,6?-dimethoxy-2,2?-bi

Systematic Name

English

BUPRENORPHINE HYDROCHLORIDE IMPURITY G [EP IMPURITY]

Common Name

English

2,2’-Bi{17-(cyclopropylmethyl)-4,5?-epoxy-3-hydroxy-7?-[(S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-6?,14-ethanomorphinan}

Systematic Name

English

(?S,5?,7?)-(??S,5??,7??)-17,17?-Bis(cyclopropylmethyl)-?,??-bis(1,1-dimethylethyl)-4,5:4?,5?-diepoxy-18,18?,19,19?-tetrahydro-3,3?-dihydroxy-6,6?-dimethoxy-?,??-dimethyl[2,2?-bi-6,14-ethenomorphinan]-7,7?-dimethanol

Systematic Name

English

Pseudobuprenorphine

Common Name

English

[2,2?-Bi-6,14-ethenomorphinan]-7,7?-dimethanol, 17,17?-bis(cyclopropylmethyl)-?,??-bis(1,1-dimethylethyl)-4,5:4?,5?-diepoxy-18,18?,19,19?-tetrahydro-3,3?-dihydroxy-6,6?-dimethoxy-?,??-dimethyl-, [5?,7?(S)]-[5??,7??(S)]-

Systematic Name

English

BUPRENORPHINE IMPURITY G [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

139468475

Created by admin on Wed Apr 02 20:00:55 GMT 2025 , Edited by admin on Wed Apr 02 20:00:55 GMT 2025

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EPA CompTox

DTXSID90858350

Created by admin on Wed Apr 02 20:00:55 GMT 2025 , Edited by admin on Wed Apr 02 20:00:55 GMT 2025

PRIMARY

FDA UNII

43MH6YYF5W

Created by admin on Wed Apr 02 20:00:55 GMT 2025 , Edited by admin on Wed Apr 02 20:00:55 GMT 2025

PRIMARY

CAS

163597-04-4

Created by admin on Wed Apr 02 20:00:55 GMT 2025 , Edited by admin on Wed Apr 02 20:00:55 GMT 2025

PRIMARY

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