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Pyrrolidine, 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Pyrrolidine, 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) structure

CAS No:
5863-35-4
Formula:
C27H28N2O4.C6H8O7
Chemical Name:
Pyrrolidine, 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Synonyms:
Pyrrolidine,1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Pyrrolidine,1-[2-[p-[α-(p-methoxyphenyl)-β-nitrostyryl]phenoxy]ethyl]-,citrate (1:1);Pyrrolidine,1-[2-[p-[α-(p-methoxyphenyl)-β-nitrostyryl]phenoxy]ethyl]-,citrate;CN 55945-27;1-[2-[p-[α-(p-Methoxyphenyl)-β-nitrostyryl]phenoxy]ethyl]pyrrollidine monocitrate;1-[2-[p-[α-(p-Methoxyphenyl)-β-nitrostyryl]phenoxy]ethyl]pyrrolidine monocitrate;1-[2-(p-[a-(p-Methoxyphenyl)-β-nitrostyryl]-phenoxy)ethyl]pyrrolidine monocitrate;1-[2-[4-[2-(4-Methoxyphenyl)-1-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine monocitrate;Parke Davis CI-628;CI 628;Nitromifene citrate;NSC 110407;11126-33-3;28794-69-6

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Description

A non-steroidal estrogen antagonist (as the 1:1 citrate) most commonly used as a research tool in animal studies.

Pyrrolidine, 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Basic Attributes

Molecular Weight：

636.64600

Exact Mass：

636.23190997 g/mol

UNII：

TN5UQ266RA

Characteristics

PSA：

199.65000

XLogP3：

4.57570

Density：

1.183g/cm3

Boiling Point：

576.7ºC

Flash Point：

302.6ºC

Drug Information

MeSH：

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)

MeSH Entry Terms：

CI 628

Computed Properties

Molecular Weight:636.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:636.23190997
Monoisotopic Mass:636.23190997
Topological Polar Surface Area:200
Heavy Atom Count:46
Complexity:860
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Pyrrolidine, 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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