Vincamine hydrochloride

CAS Number: 10592-03-7
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CC[C@](CCC1)(C[C@@]2(C(OC)=O)O)[C@@H]3N1CCc1c3n2c2c1cccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C21H26N2O3
Molecular Weight
354.448
Drug-likeness
1.8025
CAS
10592-03-7
InChI key
YGKAKNJJNTVSKB-PSLBYKFTSA-N
SMILES
CC[C@](CCC1)(C[C@@]2(C(OC)=O)O)[C@@H]3N1CCc1c3n2c2c1cccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10592-03-7
Molecule Name Vincamine hydrochloride
Molecular Formula HCl.C21H26N2O3
SMILES CC[C@](CCC1)(C[C@@]2(C(OC)=O)O)[C@@H]3N1CCc1c3n2c2c1cccc2.Cl
InChI InChI=1S/C21H26N2O3.ClH/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2;/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3;1H/t18-,20-,21-;/m0./s1
InChI Key YGKAKNJJNTVSKB-PSLBYKFTSA-N
CanonicalSyTyLFy 275bbca2b0ebf243
TotalMolweight 390.909
Molecular Weight 354.448
MonoisotopicMass 354.194343
CLogP 3.7907
CLogS -3.012
H Acceptors 5
H Donors 1
TotalSurfaceArea 255.12
Relative PSA 0.1825
PolarSurfaceArea 54.7
Drug-likeness 1.8025
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.34615
Molecula Flexibility 0.22994
Molecular Complexity 1.047
Fragments 2
Non HAtoms 26
NonCHAtoms 5
Electronegative Atoms 5
StereoCenters 3
Rotatable Bond 3
Rings Closures 5
Small Rings 5
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 15
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 1
StereoCon this enantiomer

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