BUPRENORPHINE HEMIADIPATE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H49NO7.ClH
Molecular Weight	632.227
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUPRENORPHINE HEMIADIPATE HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]57CC[C@@]2(OC)[C@]([H])(C7)[C@](C)(O)C(C)(C)C)=CC=C3OC(=O)CCCCC(O)=O

InChI

InChIKey=GKQJIYJVBLPVCZ-SVHCMVJSSA-N

InChI=1S/C35H49NO7.ClH/c1-31(2,3)32(4,40)24-19-33-14-15-35(24,41-5)30-34(33)16-17-36(20-21-10-11-21)25(33)18-22-12-13-23(29(43-30)28(22)34)42-27(39)9-7-6-8-26(37)38;/h12-13,21,24-25,30,40H,6-11,14-20H2,1-5H3,(H,37,38);1H/t24-,25-,30-,32+,33-,34+,35-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C35H49NO7
Molecular Weight	595.7661
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:33 UTC 2023` Edited by `admin` on `Sat Dec 16 09:44:33 UTC 2023`
Record UNII	4S28A3OK90
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUPRENORPHINE HEMIADIPATE HYDROCHLORIDE

Common Name

English

BUPRENORPHINE ADIPATE ESTER HYDROCHLORIDE

Common Name

English

6,14-ETHENOMORPHINAN-7-METHANOL, 3-((5-CARBOXY-1-OXOPENTYL)OXY)-17-(CYCLOPROPYLMETHYL)-.ALPHA.-(1,1-DIMETHYLETHYL)-4,5-EPOXY-18,19-DIHYDRO-6-METHOXY-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1), (.ALPHA.S,5.ALPHA.,7.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

951123-35-6

Created by admin on Sat Dec 16 09:44:33 UTC 2023 , Edited by admin on Sat Dec 16 09:44:33 UTC 2023

PRIMARY

PUBCHEM

57383390

Created by admin on Sat Dec 16 09:44:33 UTC 2023 , Edited by admin on Sat Dec 16 09:44:33 UTC 2023

PRIMARY

FDA UNII

4S28A3OK90

Created by admin on Sat Dec 16 09:44:33 UTC 2023 , Edited by admin on Sat Dec 16 09:44:33 UTC 2023

PRIMARY

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BUPRENORPHINE

ACTIVE MOIETY