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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21N3O6
Molecular Weight 411.4079
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-(1-(AMINOMETHYL)-2-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO(1,2-B)QUINOLIN-7-YL)-2-HYDROXY-BUTANOIC ACID

SMILES

CC[C@@](O)(C(O)=O)C1=C(CO)C(=O)N2CC3=C(N=C4C=CC(O)=C(CN)C4=C3)C2=C1

InChI

InChIKey=CHLSMALMJUSWBD-NRFANRHFSA-N
InChI=1S/C21H21N3O6/c1-2-21(30,20(28)29)14-6-16-18-10(8-24(16)19(27)13(14)9-25)5-11-12(7-22)17(26)4-3-15(11)23-18/h3-6,25-26,30H,2,7-9,22H2,1H3,(H,28,29)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H21N3O6
Molecular Weight 411.4079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 21:20:04 GMT 2025
Edited
by admin
on Tue Apr 01 21:20:04 GMT 2025
Record UNII
YYA669S2PA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-(1-(AMINOMETHYL)-2-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO(1,2-B)QUINOLIN-7-YL)-2-HYDROXY-BUTANOIC ACID
Preferred Name English
Code System Code Type Description
PUBCHEM
156613598
Created by admin on Tue Apr 01 21:20:04 GMT 2025 , Edited by admin on Tue Apr 01 21:20:04 GMT 2025
PRIMARY
FDA UNII
YYA669S2PA
Created by admin on Tue Apr 01 21:20:04 GMT 2025 , Edited by admin on Tue Apr 01 21:20:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Dealkylated metabolite.