Etripamil
methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate
Molecular Identity
Etripamil
methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate
PubChem CID: 91824132
2D Structure
Properties
C27H36N2O4
Molecular Formula
452.60
Molecular Weight
g/mol
452.2675
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
71.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
645
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OCIsomeric SMILES
SMILES: CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OCSynonyms(20)
Etripamil1593673-23-4MSP-2017(-)-MSP-2017EtripamiloS82A18Y42PBenzoic acid, 3-(2-(((4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, methyl esteretripamilumBenzoic acid, 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]methylamino]ethyl]-, methyl esterRefChem:596851methyl 3-(2-(((4S)-4-cyano-4-(3,4-dimethoxyphenyl)-4-(propan-2-yl)butyl)(methyl)amino)ethyl)benzoateEtripamil [USAN:INN]UNII-S82A18Y42PCARDAMYSTmethyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate
Data from PubChem (NCBI)
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Drug Network
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