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Aloin B

Aloin B structure

CAS No:
28371-16-6
Formula:
C21H22O9
Chemical Name:
Aloin B
Synonyms:
9(10H)-Anthracenone,10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,(10R)-;Anthrone,10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,stereoisomer;Isobarbaloin;9(10H)-Anthracenone,10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,(R)-;(10R)-10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone;Aloin B;Aloin;10-epi-Aloin A;11075-97-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Aloin B is one isomer of Aloin; Aloin is a physiologically active anthraquinone present in aloe.

Aloin B is a C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer). It has a role as a metabolite and a laxative. It is a C-glycosyl compound, a member of anthracenes, a cyclic ketone and a member of phenols.

Aloin B Basic Attributes

Molecular Weight：

418.398

Exact Mass：

418.39

EC Number：

610-650-2

UNII：

69VIB0J2WK

DSSTox ID：

DTXSID6048755

HScode：

29389090

Characteristics

PSA：

168

XLogP3：

1.86

Density：

1.6±0.1 g/cm3

Melting Point：

147～148℃

Boiling Point：

752.6±60.0 °C at 760 mmHg

Flash Point：

268.0±26.4 °C

Refractive Index：

1.741

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)

MeSH Entry Terms：

alloin

Aloin B Use and Manufacturing

Manufacturing Info：

Aloin: INACTIVE

Computed Properties

Molecular Weight:418.4
XLogP3:-0.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:418.12638228
Monoisotopic Mass:418.12638228
Topological Polar Surface Area:168
Heavy Atom Count:30
Complexity:630
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Aloin

CAS No.: 28371-16-6

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