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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30N4O4
Molecular Weight 402.4873
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCOC1=C(C=C(C(N)=C1)[N+]([O-])=O)C(=O)NC2CCN(C[C@H]3CCC=CC3)CC2

InChI

InChIKey=ZDLBNXXKDMLZMF-OAHLLOKOSA-N
InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30N4O4
Molecular Weight 402.4873
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 Thu Jul 06 15:50:57 UTC 2023
Edited
by admin
on Thu Jul 06 15:50:57 UTC 2023
Record UNII
W133552KFE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINITAPRIDE, (S)-
Common Name English
BENZAMIDE, 4-AMINO-N-(1-(3-CYCLOHEXEN-1-YLMETHYL)-4-PIPERIDINYL)-2-ETHOXY-5-NITRO, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
92209173
Created by admin on Thu Jul 06 15:50:58 UTC 2023 , Edited by admin on Thu Jul 06 15:50:58 UTC 2023
PRIMARY
FDA UNII
W133552KFE
Created by admin on Thu Jul 06 15:50:58 UTC 2023 , Edited by admin on Thu Jul 06 15:50:58 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER