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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N4O8
Molecular Weight 486.4745
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3,4,5-TETRAHYDRO-5-METHYL-2-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-1-OXO-1H-PYRIDO(4,3-B)INDOL-6-YL

SMILES

CN1C2=C(C3=CC=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C13)C(=O)N(CC5=C(C)N=CN5)CC2

InChI

InChIKey=SKRURAREEIQZDM-BPDSMXLESA-N
InChI=1S/C23H26N4O8/c1-10-12(25-9-24-10)8-27-7-6-13-15(21(27)31)11-4-3-5-14(16(11)26(13)2)34-23-19(30)17(28)18(29)20(35-23)22(32)33/h3-5,9,17-20,23,28-30H,6-8H2,1-2H3,(H,24,25)(H,32,33)/t17-,18-,19+,20-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3,4,5-TETRAHYDRO-5-METHYL-2-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-1-OXO-1H-PYRIDO(4,3-B)INDOL-6-YL
Systematic Name English
ALOSETRON METABOLITE M10
Common Name English
6-OH ALOSETRON GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
863485-51-2
Created by admin on Sat Dec 16 14:44:56 GMT 2023 , Edited by admin on Sat Dec 16 14:44:56 GMT 2023
PRIMARY
FDA UNII
H4LDC8TX92
Created by admin on Sat Dec 16 14:44:56 GMT 2023 , Edited by admin on Sat Dec 16 14:44:56 GMT 2023
PRIMARY
PUBCHEM
156028086
Created by admin on Sat Dec 16 14:44:56 GMT 2023 , Edited by admin on Sat Dec 16 14:44:56 GMT 2023
PRIMARY