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2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate structure

CAS No:
130676-89-0
Formula:
C36H53Cl2NO4
Chemical Name:
2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms:
Chlorambucil-arachidonic acid conjugate; CAAC;

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2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate Basic Attributes

Molecular Weight：

634.71600

Exact Mass：

633.3351646

Characteristics

PSA：

55.84000

XLogP3：

9.52540

Density：

1.069g/cm3

Boiling Point：

691.9ºC at 760mmHg

Flash Point：

372.2ºC

Refractive Index：

1.532

Vapor Pressure：

5.43E-19mmHg at 25°C

Drug Information

MeSH Entry Terms：

CAAC

Computed Properties

Molecular Weight:634.7
XLogP3:10.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:28
Exact Mass:633.3351646
Monoisotopic Mass:633.3351646
Topological Polar Surface Area:55.8
Heavy Atom Count:43
Complexity:797
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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