Losartan potassium

CAS Number: 124750-99-8
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CCCCc1nc(Cl)c(CO)n1Cc(cc1)ccc1-c(cccc1)c1-c1nnn[n-]1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C22H22N6OCl
Molecular Weight
421.911
Drug-likeness
-3.9489
CAS
124750-99-8
InChI key
OXCMYAYHXIHQOA-UHFFFAOYSA-N
SMILES
CCCCc1nc(Cl)c(CO)n1Cc(cc1)ccc1-c(cccc1)c1-c1nnn[n-]1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 124750-99-8
Molecule Name Losartan potassium
Molecular Formula K.C22H22N6OCl
SMILES CCCCc1nc(Cl)c(CO)n1Cc(cc1)ccc1-c(cccc1)c1-c1nnn[n-]1.[K+]
InChI InChI=1S/C22H22ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3;/q-1;+1
InChI Key OXCMYAYHXIHQOA-UHFFFAOYSA-N
CanonicalSyTyLFy 553af8c78c0ccfec
TotalMolweight 461.009
Molecular Weight 421.911
MonoisotopicMass 421.154361
CLogP 4.0501
CLogS -4.986
H Acceptors 7
H Donors 1
TotalSurfaceArea 315.19
Relative PSA 0.20258
PolarSurfaceArea 76.72
Drug-likeness -3.9489
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53333
Molecula Flexibility 0.50279
Molecular Complexity 0.86255
Fragments 2
Non HAtoms 30
NonCHAtoms 8
Electronegative Atoms 8
Rotatable Bond 8
Rings Closures 4
Small Rings 4
Aromatic Rings 4
Aromatic Atoms 22
Sp3Atoms 7
Symmetricatoms 2
Aromatic Nitrogens 6
BasicNitrogens 1

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