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Arglabin

Arglabin structure

CAS No:
84692-91-1
Formula:
C15H18O3
Chemical Name:
Arglabin
Synonyms:
3H-Oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one,5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-,(3aR,4aS,6aS,9aS,9bR)-;3H-Oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one,5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-,[4aS-(3aS*,4aα,6aα,9aβ,9bα)]-;(3aR,4aS,6aS,9aS,9bR)-5,6,6a,7,9a,9b-Hexahydro-1,4a-dimethyl-7-methylene-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one;Arglabin;(+)-Arglabin;Arglabine;2488402-52-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the add ct res

Arglabin Basic Attributes

Molecular Weight：

246.304

Exact Mass：

246.30

DSSTox ID：

DTXSID30233687

Characteristics

PSA：

38.8 Å²

Density：

1.22±0.1 g/cm3(Predicted)

Melting Point：

100-102 °C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

arglabin

Computed Properties

Molecular Weight:246.30
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Exact Mass:246.125594432
Monoisotopic Mass:246.125594432
Topological Polar Surface Area:38.8
Heavy Atom Count:18
Complexity:506
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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