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Details

Stereochemistry RACEMIC
Molecular Formula C21H29NS2.ClH
Molecular Weight 396.053
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPTODIAME HYDROCHLORIDE

SMILES

Cl.CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C2=CC=CC=C2

InChI

InChIKey=IQCZDPRPOLRNQX-UHFFFAOYSA-N
InChI=1S/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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

Molecular Formula C21H29NS2
Molecular Weight 359.592
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

CAPTODIAME, also known as captodiamine, is a diphenylmethane derivative. It is a 5-HT2c receptor antagonist and agonist at sigma-1 and D3 dopamine receptors. It is an antihistamine which is used as a sedative and anxiolytic. CAPTODIAME is probably useful in preventing benzodiazepine withdrawal syndrome.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Suvren

Doses

PubMed

Substance Class Chemical
Record UNII
9I7N9PR9J2
Record Status Validated (UNII)
Record Version