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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30N2O9
Molecular Weight 502.5137
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDRODOLASETRON GLUCURONIDE, S-

SMILES

[H][C@@]12C[C@]3([H])C[C@@H](C[C@]([H])(C1)N3C[C@H]2O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)OC(=O)C5=CNC6=C5C=CC=C6

InChI

InChIKey=AHLHDKGZWOOHBZ-SZLFRCJVSA-N
InChI=1S/C25H30N2O9/c28-19-20(29)22(23(31)32)36-25(21(19)30)35-18-10-27-12-5-11(18)6-13(27)8-14(7-12)34-24(33)16-9-26-17-4-2-1-3-15(16)17/h1-4,9,11-14,18-22,25-26,28-30H,5-8,10H2,(H,31,32)/t11-,12-,13+,14+,18-,19+,20+,21-,22+,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HYDRODOLASETRON GLUCURONIDE, S-
Common Name English
Code System Code Type Description
CAS
168751-59-5
Created by admin on Sat Dec 16 09:40:43 GMT 2023 , Edited by admin on Sat Dec 16 09:40:43 GMT 2023
PRIMARY
PUBCHEM
91810626
Created by admin on Sat Dec 16 09:40:43 GMT 2023 , Edited by admin on Sat Dec 16 09:40:43 GMT 2023
PRIMARY
FDA UNII
U2406C5A41
Created by admin on Sat Dec 16 09:40:43 GMT 2023 , Edited by admin on Sat Dec 16 09:40:43 GMT 2023
PRIMARY