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Ambamustine

Ambamustine structure

CAS No:
85754-59-2
Formula:
C29H39Cl2FN4O4S
Chemical Name:
Ambamustine
Synonyms:
Ambamustine;Ambamustine [inn];N-(3-(m-(Bis(2-chloroethyl)amino)phenyl)-N-(3-(p-fluorophenyl)-L-alanyl)-L-alanyl)-L-methionine, ethyl ester;Unii-ib1H345F24
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

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Description

Ambamustine is a tripeptidic nitrogen mustard compound and bifunctional alkylating agent with antineoplastic activity.

Ambamustine Basic Attributes

Molecular Weight：

629.621

Exact Mass：

628.20500

UNII：

IB1H345F24

NCI Thesaurus Code：

C73320

Characteristics

PSA：

139

XLogP3：

4.99010

Density：

1.267g/cm3

Boiling Point：

844.8ºC at 760 mmHg

Flash Point：

464.7ºC

Refractive Index：

1.578

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

3-(4-fluorophenyl)Ala-3-(3-bis(2-chloroethyl)aminophenyl)Ala-Met ethyl ester

Computed Properties

Molecular Weight:629.6
XLogP3:4.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:19
Exact Mass:628.2053105
Monoisotopic Mass:628.2053105
Topological Polar Surface Area:139
Heavy Atom Count:41
Complexity:788
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes