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cis-3-Hydroxy-apatinib-O-glucuronide

cis-3-Hydroxy-apatinib-O-glucuronide structure

CAS No:
1376331-61-1
Formula:
C30H31N5O8
Chemical Name:
cis-3-Hydroxy-apatinib-O-glucuronide
Synonyms:
[rel-(1R,3R)]-3-Cyano-3-[4-[[[2-[(4-pyridinylMethyl)aMino]-3-pyridinyl]carbonyl]aMino]phenyl]cyclopentyl β-D-Glucopyranosiduronic Acid;cis-3-Hydroxy-apatinib-O-glucuronide;rac cis-3-Hydroxy Apatinib 3-O-β-D-Glucuronide

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cis-3-Hydroxy-apatinib-O-glucuronide Basic Attributes

Molecular Weight：

589.59584

Exact Mass：

589.217

DSSTox ID：

DTXSID80857711

Characteristics

PSA：

207

XLogP3：

1.4

Density：

1.50±0.1 g/cm3(Predicted)

Boiling Point：

830.4±65.0 °C(Predicted)

cis-3-Hydroxy-apatinib-O-glucuronide Use and Manufacturing

cis-3-Hydroxy Apatinib 3-O-β-D-Glucuronide is a glucuronide conjugate of cis-3-Hydroxy Apatinib and a metabolite of the antiangiogenic agent and selective VEGFR2 inhibitor Apatinib (A726150).

Computed Properties

Molecular Weight:589.6
XLogP3:1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:589.21726296
Monoisotopic Mass:589.21726296
Topological Polar Surface Area:207
Heavy Atom Count:43
Complexity:1010
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of cis-3-Hydroxy-apatinib-O-glucuronide

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

cis-3-Hydroxy-apatinib-O-glucuronide

SDS

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