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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N2O11
Molecular Weight 600.6136
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEBAZEPRIL-GLUCURONIDE CONJUGATE

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(CC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C2=O

InChI

InChIKey=YPGLPVMXYOHXMT-PSOMMEEJSA-N
InChI=1S/C30H36N2O11/c1-2-41-29(40)20(14-12-17-8-4-3-5-9-17)31-19-15-13-18-10-6-7-11-21(18)32(27(19)37)16-22(33)42-30-25(36)23(34)24(35)26(43-30)28(38)39/h3-11,19-20,23-26,30-31,34-36H,2,12-16H2,1H3,(H,38,39)/t19-,20-,23-,24-,25+,26-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O11
Molecular Weight 600.6136
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 Dec 16 14:04:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:04:49 GMT 2023
Record UNII
37N77J2QK6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEBAZEPRIL-GLUCURONIDE CONJUGATE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((3S)-3-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATE)
Systematic Name English
(2S,3S,4S,5R,6S)-6-(2-((3S)-3-(((1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL)AMINO)-2-OXO-4,5-DIHYDRO-3H-1-BENZAZEPIN-1-YL)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
1809324-41-1
Created by admin on Sat Dec 16 14:04:50 GMT 2023 , Edited by admin on Sat Dec 16 14:04:50 GMT 2023
PRIMARY SCIFINDER
FDA UNII
37N77J2QK6
Created by admin on Sat Dec 16 14:04:50 GMT 2023 , Edited by admin on Sat Dec 16 14:04:50 GMT 2023
PRIMARY
PUBCHEM
71313621
Created by admin on Sat Dec 16 14:04:50 GMT 2023 , Edited by admin on Sat Dec 16 14:04:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE