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Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO3
Molecular Weight 197.231
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL

SMILES

CC(O)(CO)C1=CC=C(O)C(CN)=C1

InChI

InChIKey=KBRPXITUYNPUDS-UHFFFAOYSA-N
InChI=1S/C10H15NO3/c1-10(14,6-12)8-2-3-9(13)7(4-8)5-11/h2-4,12-14H,5-6,11H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL
Systematic Name English
EZLOPITANT METABOLITE M1A
Preferred Name English
1,2-PROPANEDIOL, 2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)-
Systematic Name English
2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)PROPANE-1,2-DIOL
Systematic Name English
Code System Code Type Description
FDA UNII
MG7DR1YK40
Created by admin on Wed Apr 02 07:33:08 GMT 2025 , Edited by admin on Wed Apr 02 07:33:08 GMT 2025
PRIMARY
PUBCHEM
130131538
Created by admin on Wed Apr 02 07:33:08 GMT 2025 , Edited by admin on Wed Apr 02 07:33:08 GMT 2025
PRIMARY
CAS
1810049-87-6
Created by admin on Wed Apr 02 07:33:08 GMT 2025 , Edited by admin on Wed Apr 02 07:33:08 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of EZLOPITANT
NIH
NCATS
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