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Penitrem A

Penitrem A structure

CAS No:
12627-35-9
Formula:
C37H44ClNO6
Chemical Name:
Penitrem A
Synonyms:
7,8-(Epoxymethano)-2H,6H-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-3,4b,7d(5H,7H)-triol,12-chloro-3,3a,6a,8,9,9a,10,11,14,14b,14c,15,16,16a-tetradecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8R,9aR,14bS,14cR,16aS)-;Penitrem A;7,8-(Epoxymethano)-2H,4bH-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole,penitrem A deriv.;(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8R,9aR,14bS,14cR,16aS)-12-Chloro-3,3a,6a,8,9,9a,10,11,14,14b,14c,15,16,16a-tetradecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(epoxymethano)-2H,6H-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-3,4b,7d(5H,7H)-triol;Tremortin A;[2R-(2α,3α,3aα,4aS*,4bβ,6aα,7α,7dβ,8β,9aβ,14bβ,14cα,16aβ)]-12-Chloro-3,3a,6a,8,9,9a,10,11,14,14b,14c,15,16,16a-tetradecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(epoxymethano)-2H,6H-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-3,4b,7d(5H,7H)-triol;12679-82-2

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Penitrem A Basic Attributes

Molecular Weight：

634.2

Exact Mass：

634.20

EC Number：

634-132-0

Characteristics

PSA：

107.47000

XLogP3：

5.66170

Density：

1.0241

Melting Point：

238°C

Refractive Index：

1.6000 (estimate)

Storage Conditions：

2-8ºC

Toxicity：

LD50 orl-mus: 10 mg/kg 41KEAL -,108,78

PKA：

13.22±0.70

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

26/27/28

safety instructions：

36/37/39-45

RTECS Number：

RY7535000

Marks：

T+,T

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

penitrem A

Penitrem A Use and Manufacturing

Penitrem A is a tremorgenic mycotoxin isolated from Penicillium species. Penitrem A is a selective blocker of high-conductance Ca2+-activated potassium channels.

Computed Properties

Molecular Weight:634.2
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:633.2857158
Monoisotopic Mass:633.2857158
Topological Polar Surface Area:108
Heavy Atom Count:45
Complexity:1420
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: dinitrogen trioxide formula; phosphate aluminium; so3 sulfur trioxide; p4o10 name; jedwards; hydrogen sulfide formula

Guide of Penitrem A

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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