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Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO3
Molecular Weight 197.2314
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(CO)(c1ccc(c(c1)CN)O)O

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

Molecular Formula C10H15NO3
Molecular Weight 197.2314
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:54:09 UTC 2021
Edited
by admin
on Sat Jun 26 09:54:09 UTC 2021
Record UNII
MG7DR1YK40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-PROPANEDIOL, 2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)-
Systematic Name English
2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL
Systematic Name English
2-(3-(AMINOMETHYL)-4-HYDROXYPHENYL)PROPANE-1,2-DIOL
Systematic Name English
EZLOPITANT METABOLITE M1A
Common Name English
Code System Code Type Description
FDA UNII
MG7DR1YK40
Created by admin on Sat Jun 26 09:54:09 UTC 2021 , Edited by admin on Sat Jun 26 09:54:09 UTC 2021
PRIMARY
PUBCHEM
130131538
Created by admin on Sat Jun 26 09:54:09 UTC 2021 , Edited by admin on Sat Jun 26 09:54:09 UTC 2021
PRIMARY
CAS
1810049-87-6
Created by admin on Sat Jun 26 09:54:09 UTC 2021 , Edited by admin on Sat Jun 26 09:54:09 UTC 2021
PRIMARY
Related Record Type Details
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