U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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