 Home > Encyclopedia > 3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-

3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-

3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)- structure

CAS No:
1456-55-9
Formula:
C18H20ClN3O6S2
Chemical Name:
3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-
Synonyms:
3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-;sporidesmin;SPORIDESMINA;C10618

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Description

Sporidesmin A is an organic heteropentacyclic compound that has formula C18H20ClN3O6S2, produced by the saprophyte fungus Pithomyces chartarum. It is a mycotoxin responsible for the hepatogenous photosensitisation disease facial eczema in ruminants. It has a role as a mycotoxin and a Wnt signalling activator. It is an organic heteropentacyclic compound, an aromatic ether, an organochlorine compound, a secondary alcohol, a tertiary alcohol, a tertiary amino compound, an organic disulfide, a diketone and a cyclic ketone.

3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)- Basic Attributes

Molecular Weight：

473.95

Exact Mass：

473.95

UNII：

H70LC3H0RW

Characteristics

PSA：

153

XLogP3：

0.2

Density：

1.74±0.1 g/cm3(Predicted)

Melting Point：

179° (dependent on rate of heating)

Boiling Point：

761.4±60.0 °C(Predicted)

Specific rotation：

D20 -45° (c = 0.98 in methanol)

PKA：

11.37±0.60(Predicted)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1544

RIDADR：

1544

Drug Information

MeSH Entry Terms：

isosporidesmin B

3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)- Use and Manufacturing

Sporidesmin A is a toxin produced by the fungus Pithomyces chartarum which causes liver injury with inflammation and blockage of bile ducts in mammals.

Computed Properties

Molecular Weight:474.0
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:473.0482054
Monoisotopic Mass:473.0482054
Topological Polar Surface Area:153
Heavy Atom Count:30
Complexity:825
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-, (3R,5aR,10bS,11R,11aR)-

69799-25-3

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Guide of 3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-

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

3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-

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