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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N2O2.ClH
Molecular Weight 348.867
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-104119

SMILES

Cl.C[C@@H](CCC1=CC=C(C=C1)C(N)=O)NC[C@H](O)C2=CC=CC=C2

InChI

InChIKey=ZSGXWKSCBQJZSH-DJKAKHFESA-N
InChI=1S/C19H24N2O2.ClH/c1-14(21-13-18(22)16-5-3-2-4-6-16)7-8-15-9-11-17(12-10-15)19(20)23;/h2-6,9-12,14,18,21-22H,7-8,13H2,1H3,(H2,20,23);1H/t14-,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C19H24N2O2
Molecular Weight 312.4061
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:01:27 GMT 2023
Edited
by admin
on Fri Dec 15 15:01:27 GMT 2023
Record UNII
4F8US4WREI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-104119
Common Name English
BENZAMIDE, 4-((3S)-3-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)BUTYL)-, MONOHYDROCHLORIDE
Systematic Name English
BENZAMIDE, 4-(3-((2-HYDROXY-2-PHENYLETHYL)AMINO)BUTYL)-, MONOHYDROCHLORIDE, (R-(R*,S*))-
Systematic Name English
BENZAMIDE, 4-((3S)-3-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)BUTYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
4-(3(S)-((2(R)-HYDROXY-2-PHENYLETHYL)AMINO)BUTYL)BENZAMIDE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
4F8US4WREI
Created by admin on Fri Dec 15 15:01:27 GMT 2023 , Edited by admin on Fri Dec 15 15:01:27 GMT 2023
PRIMARY
CAS
72332-32-2
Created by admin on Fri Dec 15 15:01:27 GMT 2023 , Edited by admin on Fri Dec 15 15:01:27 GMT 2023
PRIMARY
PUBCHEM
13615034
Created by admin on Fri Dec 15 15:01:27 GMT 2023 , Edited by admin on Fri Dec 15 15:01:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY