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Cyclopiazonic acid

Cyclopiazonic acid structure

CAS No:
18172-33-3
Formula:
C20H20N2O3
Chemical Name:
Cyclopiazonic acid
Synonyms:
9H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one,10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-,(6aR,11aS,11bR)-;9H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one,10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-,(6aα,11aβ,11bα)-;(6aR,11aS,11bR)-10-Acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-9H-pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one;α-Cyclopiazonic acid;Cyclopiazonic acid;NSC 117181
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Cyclopiazonic acid Basic Attributes

Molecular Weight：

336.38400

Exact Mass：

336.38

NSC Number：

117181

Characteristics

PSA：

73.40000

XLogP3：

2.76580

Density：

1.42g/cm3

Melting Point：

245-246 °C

Boiling Point：

598.6ºC at 760mmHg

Flash Point：

315.8ºC

Refractive Index：

1.626

Storage Conditions：

-20ºC

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 2

hazard class code：

R25

Marks：

Precautionary statement(s)：

P264; P301 + P310

Hazard Statements：

H300

Computed Properties

Molecular Weight:336.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:336.14739250
Monoisotopic Mass:336.14739250
Topological Polar Surface Area:73.4
Heavy Atom Count:25
Complexity:697
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes