Details of the Drug

General Information of Drug (ID: DMEQ3IW)

Drug Name

(S)-amisulpride

Synonyms

UNII-ES3TWM82E8; ES3TWM82E8; 71675-92-8; Amisulpride, (S)-; AC1MHORM; SCHEMBL675545; NTJOBXMMWNYJFB-LBPRGKRZSA-N; ZINC1846088; Benzamide, 4-amino-N-(((2S)-1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-; LS-25533; UNII-8110R61I4U component NTJOBXMMWNYJFB-LBPRGKRZSA-N; 4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Discontinued in Phase 4	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

369.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H27N3O4S
IUPAC Name: 4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide
Canonical SMILES: CCN1CCC[C@H]1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
InChI: InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKey: NTJOBXMMWNYJFB-LBPRGKRZSA-N