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Details

Stereochemistry RACEMIC
Molecular Formula C18H21ClN2.H3O4P
Molecular Weight 398.821
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOMACRAN PHOSPHATE

SMILES

OP(O)(O)=O.CN(C)CCCC1C2=CC(Cl)=CC=C2NC3=C1C=CC=C3

InChI

InChIKey=SKKDWRIEPIZVOR-UHFFFAOYSA-N
InChI=1S/C18H21ClN2.H3O4P/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18;1-5(2,3)4/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3;(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C18H21ClN2
Molecular Weight 300.826
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

CLOMACRAN, a non-phenothiazine tricyclic compound, is an antipsychotic drug.

CNS Activity

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
7A1GN6M31H
Record Status Validated (UNII)
Record Version