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76824-35-6 | Famotidine , 98%
CAS No: 76824-35-6 Catalog No: AG003QKN MDL No:MFCD00079297
Product Description
Catalog Number:
AG003QKN
Chemical Name:
Famotidine , 98%
CAS Number:
76824-35-6
Molecular Formula:
C8H15N7O2S3
Molecular Weight:
337.4454
MDL Number:
MFCD00079297
IUPAC Name:
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
InChI:
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
InChI Key:
XUFQPHANEAPEMJ-UHFFFAOYSA-N
SMILES:
N=C(NS(=O)(=O)N)CCSCc1csc(n1)NC(=N)N
EC Number:
616-396-9
UNII:
5QZO15J2Z8
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
337.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
337.435g/mol
Monoisotopic Mass:
337.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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