Mepivicaine hydrochloride

CAS Number: 1722-62-9
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Cc1cccc(C)c1NC(C1N(C)CCCC1)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.C15H22N2O
Molecular Weight
246.353
Drug-likeness
4.8975
CAS
1722-62-9
InChI key
RETIMRUQNCDCQB-ZOWNYOTGSA-N
SMILES
Cc1cccc(C)c1NC(C1N(C)CCCC1)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 1722-62-9
Molecule Name Mepivicaine hydrochloride
Molecular Formula HCl.C15H22N2O
SMILES Cc1cccc(C)c1NC(C1N(C)CCCC1)=O.Cl
InChI InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H/t13-;/m0./s1
InChI Key RETIMRUQNCDCQB-ZOWNYOTGSA-N
CanonicalSyTyLFy 91ec1adcf324d7e9
TotalMolweight 282.814
Molecular Weight 246.353
MonoisotopicMass 246.173213
CLogP 2.396
CLogS -2.803
H Acceptors 3
H Donors 1
TotalSurfaceArea 203.59
Relative PSA 0.13778
PolarSurfaceArea 32.34
Drug-likeness 4.8975
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.55556
Molecula Flexibility 0.45051
Molecular Complexity 0.67908
Fragments 2
Non HAtoms 18
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 9
Symmetricatoms 3
Amides 1
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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