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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H37N3O9
Molecular Weight 595.6402
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(2-(4-((5,6-DIPHENYLPYRAZIN-2-YL)-ISOPROPYL-AMINO)BUTOXY)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CC(C)N(CCCCOCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2=NC(C3=CC=CC=C3)=C(N=C2)C4=CC=CC=C4

InChI

InChIKey=WBXBYPNNVWZVPR-SQQOACJHSA-N
InChI=1S/C31H37N3O9/c1-19(2)34(22-17-32-24(20-11-5-3-6-12-20)25(33-22)21-13-7-4-8-14-21)15-9-10-16-41-18-23(35)42-31-28(38)26(36)27(37)29(43-31)30(39)40/h3-8,11-14,17,19,26-29,31,36-38H,9-10,15-16,18H2,1-2H3,(H,39,40)/t26-,27-,28+,29-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H37N3O9
Molecular Weight 595.6402
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:04 GMT 2023
Edited
by admin
on Sat Dec 16 14:38:04 GMT 2023
Record UNII
ME9QGL9THJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-6-(2-(4-((5,6-DIPHENYLPYRAZIN-2-YL)-ISOPROPYL-AMINO)BUTOXY)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ACT-333679 GLUCURONIDE
Common Name English
Code System Code Type Description
DRUG BANK
DBMET02144
Created by admin on Sat Dec 16 14:38:04 GMT 2023 , Edited by admin on Sat Dec 16 14:38:04 GMT 2023
PRIMARY
PUBCHEM
154925796
Created by admin on Sat Dec 16 14:38:04 GMT 2023 , Edited by admin on Sat Dec 16 14:38:04 GMT 2023
PRIMARY
FDA UNII
ME9QGL9THJ
Created by admin on Sat Dec 16 14:38:04 GMT 2023 , Edited by admin on Sat Dec 16 14:38:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE