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Details

Stereochemistry MIXED
Molecular Formula C24H26N4O11
Molecular Weight 546.4834
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,P,P'-TRIHYDROXYMESOCARB GLUCURONIDE

SMILES

CC(C(O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)C=C1)[N+]3=NOC(NC(=O)NC4=CC=C(O)C=C4)=C3

InChI

InChIKey=QMTIXZKUVRHMHT-IWKWYPLWSA-N
InChI=1S/C24H26N4O11/c1-11(28-10-16(39-27-28)26-24(36)25-13-4-6-14(29)7-5-13)17(30)12-2-8-15(9-3-12)37-23-20(33)18(31)19(32)21(38-23)22(34)35/h2-11,17-21,23,27,30-33H,1H3,(H2,26,34,35,36)/t11?,17?,18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26N4O11
Molecular Weight 546.4834
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:33:10 GMT 2023
Edited
by admin
on Sat Dec 16 10:33:10 GMT 2023
Record UNII
R9NK493S3I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,P,P'-TRIHYDROXYMESOCARB GLUCURONIDE
Common Name English
TRIHYDROXYMESOCARB GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
R9NK493S3I
Created by admin on Sat Dec 16 10:33:10 GMT 2023 , Edited by admin on Sat Dec 16 10:33:10 GMT 2023
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