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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30ClN3O2
Molecular Weight 403.946
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALEPRIDE, (S)-

SMILES

NC1=C(Cl)C=C(C(=O)NC2CCN(C[C@H]3CCC=CC3)CC2)C(OCC=C)=C1

InChI

InChIKey=WJDKTEVHFQAXFP-MRXNPFEDSA-N
InChI=1S/C22H30ClN3O2/c1-2-12-28-21-14-20(24)19(23)13-18(21)22(27)25-17-8-10-26(11-9-17)15-16-6-4-3-5-7-16/h2-4,13-14,16-17H,1,5-12,15,24H2,(H,25,27)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30ClN3O2
Molecular Weight 403.946
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:03:57 GMT 2023
Record UNII
DSH30OON4S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALEPRIDE, (S)-
Common Name English
BENZAMIDE, 4-AMINO-5-CHLORO-N-(1-(3-CYCLOHEXEN-1-YLMETHYL)-4-PIPERIDINYL)-2-(2-PROPEN-1-YLOXY)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
DSH30OON4S
Created by admin on Sat Dec 16 09:03:57 GMT 2023 , Edited by admin on Sat Dec 16 09:03:57 GMT 2023
PRIMARY
PUBCHEM
91827163
Created by admin on Sat Dec 16 09:03:57 GMT 2023 , Edited by admin on Sat Dec 16 09:03:57 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER