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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13FN4O2
Molecular Weight 252.2449
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3H-1,2,4-TRIAZOL-3-ONE, 5-((((1S)-1-(4-FLUOROPHENYL)-2-HYDROXYETHYL)AMINO)METHYL)-1,2-DIHYDRO-

SMILES

OC[C@@H](NCC1=NC(=O)NN1)C2=CC=C(F)C=C2

InChI

InChIKey=ODGWWXNOVLABLG-SECBINFHSA-N
InChI=1S/C11H13FN4O2/c12-8-3-1-7(2-4-8)9(6-17)13-5-10-14-11(18)16-15-10/h1-4,9,13,17H,5-6H2,(H2,14,15,16,18)/t9-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3H-1,2,4-TRIAZOL-3-ONE, 5-((((1S)-1-(4-FLUOROPHENYL)-2-HYDROXYETHYL)AMINO)METHYL)-1,2-DIHYDRO-
Systematic Name English
5-((((1S)-1-(4-FLUOROPHENYL)-2-HYDROXYETHYL)AMINO)METHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
APREPITANT METABOLITE M-3
Common Name English
Code System Code Type Description
PUBCHEM
156028137
Created by admin on Sat Dec 16 14:47:01 GMT 2023 , Edited by admin on Sat Dec 16 14:47:01 GMT 2023
PRIMARY
FDA UNII
32WLD5Y2TX
Created by admin on Sat Dec 16 14:47:01 GMT 2023 , Edited by admin on Sat Dec 16 14:47:01 GMT 2023
PRIMARY
CAS
419574-38-2
Created by admin on Sat Dec 16 14:47:01 GMT 2023 , Edited by admin on Sat Dec 16 14:47:01 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of APREPITANT
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