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Verrucarin A

Verrucarin A structure

CAS No:
3148-09-2
Formula:
C27H34O9
Chemical Name:
Verrucarin A
Synonyms:
Verrucarin A;Spiro[16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane],verrucarin A deriv.;Muconomycin A;Muconomycin;Verrucarine A;NSC 126728;NSC 200736;Spiro[16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane]-3,9,14-trione,4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-,(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-;(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4,5,6,7,16,16a,19a,22-Octahydro-4-hydroxy-5,16a,21-trimethylspiro[16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane]-3,9,14-trione;11039-36-4;18046-08-7;21462-53-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A trichothecene antibiotic which incorporates a triester macrocyclic structure and an exocyclic methylene epoxide group.

Verrucarin A is a trichothecene antibiotic which incorporates a triester macrocyclic structure and an exocyclic methylene epoxide group. It is a trichothecene, a macrolide antibiotic, an epoxide, a macrotriolide and an organic heterotetracyclic compound.

Verrucarin A Basic Attributes

Molecular Weight：

488.52700

Exact Mass：

502.55

UNII：

OL62X66O4I

Characteristics

PSA：

120.89000

XLogP3：

1.78050

Density：

1.32g/cm3

Melting Point：

>300 °C

Boiling Point：

747.4ºC at 760mmHg

Flash Point：

250.2ºC

Refractive Index：

1.584

Toxicity：

LD50 in mice, rats, rabbits (mg/kg): 1.5, 0.87, 0.54 i.v. (Rüsch, Sthlin)

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/27/28

safety instructions：

22-36/37/39-45

RTECS Number：

WH1314900

Marks：

T+: Very toxic;

Precautionary statement(s)：

P260-P264-P280-P284-P301 + P310-P302 + P350

Hazard Statements：

H300 + H310 + H330

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)|Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)

MeSH Entry Terms：

muconomycin A

Computed Properties

Molecular Weight:502.6
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Exact Mass:502.22028266
Monoisotopic Mass:502.22028266
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:1030
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3148-09-2

Grade: Industrial Grade

Content: 99%

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