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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C18H22N2O.H2O
Molecular Weight 582.7754
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[(4-Aminophenyl)methyl]-?-phenyl-2-pyrrolidinemethanol hemihydrate , (?R,2R,5S)-

SMILES

O.NC1=CC=C(C[C@@H]2CC[C@@H](N2)[C@H](O)C3=CC=CC=C3)C=C1.NC4=CC=C(C[C@@H]5CC[C@@H](N5)[C@H](O)C6=CC=CC=C6)C=C4

InChI

InChIKey=YYXMVRDMOMAHMK-IPYQQXOVSA-N
InChI=1S/2C18H22N2O.H2O/c2*19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14;/h2*1-9,16-18,20-21H,10-12,19H2;1H2/t2*16-,17+,18+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-[(4-Aminophenyl)methyl]-?-phenyl-2-pyrrolidinemethanol hemihydrate , (?R,2R,5S)-
Systematic Name English
2-Pyrrolidinemethanol, 5-[(4-aminophenyl)methyl]-?-phenyl-, hydrate (2:1), (?R,2R,5S)-
Preferred Name English
Code System Code Type Description
CAS
2230615-52-6
Created by admin on Wed Apr 02 20:16:32 GMT 2025 , Edited by admin on Wed Apr 02 20:16:32 GMT 2025
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FDA UNII
26BBD7N3FJ
Created by admin on Wed Apr 02 20:16:32 GMT 2025 , Edited by admin on Wed Apr 02 20:16:32 GMT 2025
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