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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H51NO5
Molecular Weight 565.7845
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPRENORPHINE 3-HEXANOATE

SMILES

CCCCCC(=O)Oc1ccc2C[C@]3([H])[C@@]45CC[C@@]([C@]([H])(C4)[C@@](C)(C(C)(C)C)O)([C@@]6([H])[C@]5(CCN3CC7CC7)c2c1O6)OC

InChI

InChIKey=RAVJCOZDBYSQMI-GAWBWVFGSA-N
InChI=1S/C35H51NO5/c1-7-8-9-10-27(37)40-24-14-13-23-19-26-33-15-16-35(39-6,25(20-33)32(5,38)31(2,3)4)30-34(33,28(23)29(24)41-30)17-18-36(26)21-22-11-12-22/h13-14,22,25-26,30,38H,7-12,15-21H2,1-6H3/t25-,26-,30-,32+,33-,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H51NO5
Molecular Weight 565.7845
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 Sat Jun 26 04:25:35 UTC 2021
Edited
by admin
on Sat Jun 26 04:25:35 UTC 2021
Record UNII
P7291Y4I7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUPRENORPHINE 3-HEXANOATE
Common Name English
6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-.ALPHA.-(1,1-DIMETHYLETHYL)-4,5-EPOXY-18,19-DIHYDRO-6-METHOXY-.ALPHA.-METHYL-3-((1-OXOHEXYL)OXY)-, (5.ALPHA.,7.ALPHA.(S))-
Systematic Name English
Code System Code Type Description
CAS
171018-32-9
Created by admin on Sat Jun 26 04:25:35 UTC 2021 , Edited by admin on Sat Jun 26 04:25:35 UTC 2021
PRIMARY
FDA UNII
P7291Y4I7Z
Created by admin on Sat Jun 26 04:25:35 UTC 2021 , Edited by admin on Sat Jun 26 04:25:35 UTC 2021
PRIMARY
PUBCHEM
9850910
Created by admin on Sat Jun 26 04:25:35 UTC 2021 , Edited by admin on Sat Jun 26 04:25:35 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE