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Details

Stereochemistry EPIMERIC
Molecular Formula C26H29N3O11S
Molecular Weight 591.587
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((((1-CARBOXY-2-(4-((6-METHOXY-1-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY)PHENYL)ETHYL)THIO)CARBONYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

SMILES

COC1=CC2=C(C=C1)N=C(COC3=CC=C(CC(SC(=O)N[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C=C3)N2C

InChI

InChIKey=DHROAGXRGJGULY-KXJSDLPRSA-N
InChI=1S/C26H29N3O11S/c1-29-16-10-14(38-2)7-8-15(16)27-18(29)11-39-13-5-3-12(4-6-13)9-17(24(33)34)41-26(37)28-23-21(32)19(30)20(31)22(40-23)25(35)36/h3-8,10,17,19-23,30-32H,9,11H2,1-2H3,(H,28,37)(H,33,34)(H,35,36)/t17?,19-,20-,21+,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29N3O11S
Molecular Weight 591.587
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:49 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:49 UTC 2023
Record UNII
M1DIA86MYQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((((1-CARBOXY-2-(4-((6-METHOXY-1-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY)PHENYL)ETHYL)THIO)CARBONYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
RIVOGLITAZONE METABOLITE M9
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((((1-CARBOXY-2-(4-((6-METHOXY-1-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY)PHENYL)ETHYL)THIO)CARBONYL)AMINO)-1-DEOXY-
Systematic Name English
Code System Code Type Description
CAS
1357391-86-6
Created by admin on Sat Dec 16 16:34:49 UTC 2023 , Edited by admin on Sat Dec 16 16:34:49 UTC 2023
PRIMARY
FDA UNII
M1DIA86MYQ
Created by admin on Sat Dec 16 16:34:49 UTC 2023 , Edited by admin on Sat Dec 16 16:34:49 UTC 2023
PRIMARY
PUBCHEM
118753136
Created by admin on Sat Dec 16 16:34:49 UTC 2023 , Edited by admin on Sat Dec 16 16:34:49 UTC 2023
PRIMARY
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