U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17NO.ClH
Molecular Weight 239.741
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA-PYRROLIDINOPROPIOPHENONE HYDROCHLORIDE, (S)-

SMILES

Cl.C[C@H](N1CCCC1)C(=O)C2=CC=CC=C2

InChI

InChIKey=VQCZQKJXTMYEQV-MERQFXBCSA-N
InChI=1S/C13H17NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11H,5-6,9-10H2,1H3;1H/t11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H17NO
Molecular Weight 203.2802
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity ( - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:39:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:39:30 GMT 2023
Record UNII
2P493M45TV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPHA-PYRROLIDINOPROPIOPHENONE HYDROCHLORIDE, (S)-
Common Name English
1-PROPANONE, 1-PHENYL-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1), (2S)-
Systematic Name English
.ALPHA.-PYRROLIDINOPROPIOPHENONE HYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
CAS
1215194-18-5
Created by admin on Sat Dec 16 18:39:30 GMT 2023 , Edited by admin on Sat Dec 16 18:39:30 GMT 2023
PRIMARY
PUBCHEM
155907742
Created by admin on Sat Dec 16 18:39:30 GMT 2023 , Edited by admin on Sat Dec 16 18:39:30 GMT 2023
PRIMARY
FDA UNII
2P493M45TV
Created by admin on Sat Dec 16 18:39:30 GMT 2023 , Edited by admin on Sat Dec 16 18:39:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE