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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19NO3
Molecular Weight 273.327
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRODOLIC ACID, (S)-

SMILES

CCC[C@@]1(CC(O)=O)OCCC2=C1NC3=C2C=CC=C3

InChI

InChIKey=IZGMROSLQHXRDZ-INIZCTEOSA-N
InChI=1S/C16H19NO3/c1-2-8-16(10-14(18)19)15-12(7-9-20-16)11-5-3-4-6-13(11)17-15/h3-6,17H,2,7-10H2,1H3,(H,18,19)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H19NO3
Molecular Weight 273.327
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 Sat Dec 16 10:24:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:24:28 GMT 2023
Record UNII
BM1OB8K8WT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRODOLIC ACID, (S)-
Common Name English
PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1,3,4,9-TETRAHYDRO-1-PROPYL-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76966574
Created by admin on Sat Dec 16 10:24:28 GMT 2023 , Edited by admin on Sat Dec 16 10:24:28 GMT 2023
PRIMARY
FDA UNII
BM1OB8K8WT
Created by admin on Sat Dec 16 10:24:28 GMT 2023 , Edited by admin on Sat Dec 16 10:24:28 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER