CAS
96193-69-0 Purity
96%
96193-69-0 Purity
96%
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Brequinar sodium
CAS
96201-88-6
Catalog Number
ACM96201886
Category
Other Products
Molecular Weight
397.35
Molecular Formula
C23H14F2NNaO2
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Specification
Synonyms
BREQUINAR SODIUM; UNII-49EEF6HRUS; brequinarum; Dup-785; Brequinar sodium salt;
IUPAC Name
sodium 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
Canonical SMILES
CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4=CC=CC=C4F.[Na+]
InChI Key
PZOHOALJQOFNTB-UHFFFAOYSA-M
Boiling Point
550.9ºC at 760mmHg
Flash Point
287ºC
Exact Mass
398.09700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Brequinar sodium?
The molecular formula of Brequinar sodium is C23H14F2NNaO2.
What is the molecular weight of Brequinar sodium?
The molecular weight of Brequinar sodium is 397.3 g/mol.
What is the role of Brequinar sodium?
Brequinar sodium has a role as an anticoronaviral agent, an antineoplastic agent, an antiviral agent, an EC 1.3.5.2 inhibitor, an immunosuppressive agent, a pyrimidine synthesis inhibitor, and an antimetabolite.
What is the parent compound of Brequinar sodium?
The parent compound of Brequinar sodium is Brequinar.
How does Brequinar sodium inhibit the enzyme dihydroorotate dehydrogenase?
Brequinar sodium inhibits the enzyme dihydroorotate dehydrogenase, thereby blocking de novo pyrimidine biosynthesis.
What is the InChIKey of Brequinar sodium?
The InChIKey of Brequinar sodium is PZOHOALJQOFNTB-UHFFFAOYSA-M.
What are the synonyms of Brequinar sodium?
Some synonyms of Brequinar sodium include BREQUINAR SODIUM 96201-88-6, Dup 785, and Brequinar sodium salt.
What is the CAS number of Brequinar sodium?
The CAS number of Brequinar sodium is 96201-88-6.
How many hydrogen bond acceptors does Brequinar sodium have?
Brequinar sodium has 5 hydrogen bond acceptors.
What is the topological polar surface area of Brequinar sodium?
The topological polar surface area of Brequinar sodium is 53?2.
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CAS
96197-36-3 Purity
96%
96197-36-3 Purity
96%
