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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30N2O4.ClH
Molecular Weight 531.042
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[[(3S,4S)-3-[[[(1R)-1-(1-Naphthyl)ethyl]amino]methyl]-4-phenylpyrrolidin-1-yl]carbonyl]oxy]benzoic acid hydrochloride

SMILES

Cl.C[C@@H](NC[C@H]1CN(C[C@@H]1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(O)=O)C4=C5C=CC=CC5=CC=C4

InChI

InChIKey=NXYWAXTZOKUQQC-XUXGCPEQSA-N
InChI=1S/C31H30N2O4.ClH/c1-21(27-13-7-11-22-10-5-6-12-28(22)27)32-18-25-19-33(20-29(25)23-8-3-2-4-9-23)31(36)37-26-16-14-24(15-17-26)30(34)35;/h2-17,21,25,29,32H,18-20H2,1H3,(H,34,35);1H/t21-,25+,29-;/m1./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 C31H30N2O4
Molecular Weight 494.5809
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:10:35 GMT 2025
Edited
by admin
on Wed Apr 02 21:10:35 GMT 2025
Record UNII
4N7PTF4XKG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[[[(3S,4S)-3-[[[(1R)-1-(1-Naphthyl)ethyl]amino]methyl]-4-phenylpyrrolidin-1-yl]carbonyl]oxy]benzoic acid hydrochloride
Systematic Name English
1-Pyrrolidinecarboxylic acid, 3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-4-phenyl-, 4-carboxyphenyl ester, hydrochloride (1:1), (3S,4S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
68913969
Created by admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
PRIMARY
CAS
915386-24-2
Created by admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
PRIMARY
FDA UNII
4N7PTF4XKG
Created by admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
PRIMARY
Related Record Type Details
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