Structure

Fidexaban

CAS
183305-24-0
Catalog Number
ACM183305240
Category
Other Products
Molecular Weight
526.49
Molecular Formula
C25H24F2N6O5

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Specification

Synonyms
N-[2-[5-(aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine; CI 1031; Fidexaban; ZK 807834;
IUPAC Name
2-[[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]acetic acid
Canonical SMILES
CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(C)CC(=O)O)F)OC4=CC(=C(N)N)C=CC4=O
InChI Key
NZMXNQOEOYHUQU-UHFFFAOYSA-N
Boiling Point
635.4ºC at 760 mmHg
Flash Point
338.1ºC
Density
1.48
Exact Mass
526.17800
H-Bond Acceptor
13
H-Bond Donor
3
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