 Home > Encyclopedia > (2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one

(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one

(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one structure

CAS No:
466-81-9
Formula:
C16H19NO3
Chemical Name:
(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one
Synonyms:
1H,12H-Benzo[i]pyrano[3,4-g]indolizin-12-one,2,6,8,9,10,13-hexahydro-2-methoxy-,(2R,13bS)-;β-Erythroidine;16(15H)-Oxaerythrinan-15-one,1,2,6,7-tetradehydro-14,17-dihydro-3-methoxy-,(3β)-;(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one;1H,12H-Benzo[i]pyrano[3,4-g]indolizin-12-one,2,6,8,9,10,13-hexahydro-2-methoxy-,[2R-(2R*,13bS*)]-;13590-89-1;53260-05-2

Description

ChEBI: An organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,

Beta-erythroidine is an organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. It has a role as a muscle relaxant and a plant metabolite. It is an indole alkaloid, a delta-lactone, an organic heterotetracyclic compound and a tertiary amino compound.

(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one Basic Attributes

Molecular Weight：

273.33

Exact Mass：

273.33

UNII：

7334EOU8K5

DSSTox ID：

DTXSID30196884

Characteristics

PSA：

38.8

XLogP3：

-0.2

Density：

1.0888 (rough estimate)

Melting Point：

99.5 °C

Toxicity：

LD50 i.p. in mice: 24.0 mg/kg (Berger, Schwartz)

Specific rotation：

D25 +88.8°

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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 Entry Terms：

beta-erythroidine

Computed Properties

Molecular Weight:273.33
XLogP3:-0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:273.13649347
Monoisotopic Mass:273.13649347
Topological Polar Surface Area:38.8
Heavy Atom Count:20
Complexity:560
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

(2R,13bS)-2,6,8,9,10,13-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one

SDS

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