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Cephalomannine

Cephalomannine structure

CAS No:
71610-00-9
Formula:
C45H53NO14
Chemical Name:
Cephalomannine
Synonyms:
Benzenepropanoic acid,α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4β,4aβ,6β,9α[αR*,βS*(E)],11α,12α,12aα,12bα]]-;Benzenepropanoic acid,α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.;Cephalomannine;Taxol B;NSC 318735
Categories:
Biochemical Engineering > Chinese Herbs

Description

Cephalomannine is a taxol derivative with antitumor, antiproliferative properties. IC50 value:Target: Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice. Cephalomannine is a chemotherapy drug that is given as a treatment for some types of cancer. Cephalomannine is most commonly used to treat non-small cell lung cancer.

Cephalomannine Basic Attributes

Molecular Weight：

831.9

Exact Mass：

831.90

HScode：

2932999022

Characteristics

PSA：

221.29000

XLogP3：

6.59

Appearance：

solid

Density：

1.4±0.1 g/cm3

Melting Point：

139-141°C

Boiling Point：

929.5±65.0 °C at 760 mmHg

Flash Point：

516.0±34.3 °C

Refractive Index：

1.615

Water Solubility：

DMSO: 14 mg/mL, soluble

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

Drug Information

MeSH Entry Terms：

cephalomannine

Cephalomannine Use and Manufacturing

similar anti-cancer function as Taxol

Computed Properties

Molecular Weight:831.9
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:14
Exact Mass:831.34660536
Monoisotopic Mass:831.34660536
Topological Polar Surface Area:221
Heavy Atom Count:60
Complexity:1790
Undefined Atom Stereocenter Count:11
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Cephalomannine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Cephalomannine

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