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Fimasartan

CAT: 0572-TRC-F342040-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F342040-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
247257-48-3
Synonyms
5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; 5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- (9CI); 2-Butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-pyrimidineethanethioamide; 2-n-Butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one; Fimasartan; Kanarb
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCCC1=NC(=C(CC(=S)N(C)C)C(=O)N1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4)C
Molecular Formula
C27 H31 N7 O S
Molecular Weight
501.65
InChI
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
Additionnal Information
IUPAC name: 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fimasartan

Fimasartan is a member of biphenyls.

CAS Number247257-48-3
PubChem CID9870652
IUPAC Name2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide
Molecular FormulaC27H31N7OS
Molecular Weight501.6
XLogP3.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity849
SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=S)N(C)C)C
InChI
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
InChIKey
AMEROGPZOLAFBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fimasartan
CAS: 247257-48-3
CID: 9870652
Formula: C27H31N7OS
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass501.23107981
Monoisotopic Mass501.23107981
Topological Polar Surface Area122 Ų
Heavy Atom Count36
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3006-100Fimasartan
A17477-5Fimasartan 5mg
CS-P-00995Fimasartan-d6
A17477-50Fimasartan 50mg
A17477-10Fimasartan 10mg
A17477-100Fimasartan 100mg

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