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Details

Stereochemistry UNKNOWN
Molecular Formula C25H30N2O10
Molecular Weight 518.5131
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6'-HYDROXYHYDRODOLASETRON GLUCURONIDE

SMILES

[H][C@@]12C[C@]3([H])C[C@@H](C[C@]([H])(C1)N3CC2O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)OC(=O)C5=CNC6=C5C=CC(O)=C6

InChI

InChIKey=NONRWGGADFCGSV-YOERUBDTSA-N
InChI=1S/C25H30N2O10/c28-13-1-2-15-16(8-26-17(15)7-13)24(34)35-14-5-11-3-10-4-12(6-14)27(11)9-18(10)36-25-21(31)19(29)20(30)22(37-25)23(32)33/h1-2,7-8,10-12,14,18-22,25-26,28-31H,3-6,9H2,(H,32,33)/t10-,11-,12+,14+,18?,19-,20-,21+,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H30N2O10
Molecular Weight 518.5131
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:04:30 UTC 2023
Edited
by admin
on Thu Jul 06 15:04:30 UTC 2023
Record UNII
53C299WUTN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6'-HYDROXYHYDRODOLASETRON GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
168560-01-8
Created by admin on Thu Jul 06 15:04:31 UTC 2023 , Edited by admin on Thu Jul 06 15:04:31 UTC 2023
PRIMARY
PUBCHEM
91810624
Created by admin on Thu Jul 06 15:04:31 UTC 2023 , Edited by admin on Thu Jul 06 15:04:31 UTC 2023
PRIMARY
FDA UNII
53C299WUTN
Created by admin on Thu Jul 06 15:04:31 UTC 2023 , Edited by admin on Thu Jul 06 15:04:31 UTC 2023
PRIMARY
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