Details of the Drug

General Information of Drug (ID: DM5ZE7F)

Drug Name

Salvinorin B 1-ethoxyethyl ether

Synonyms

CHEMBL257922; CHEMBL556996; salvinorin B 1-ethoxyethyl ether; BDBM50374630

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

499

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C25H35ClO8
IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(1-ethoxyethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate;hydrochloride
Canonical SMILES: CCOC(C)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC.Cl
InChI: InChI=1S/C25H34O8.ClH/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26;/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3;1H/t14?,16-,17-,18-,19-,21-,24-,25-;/m0./s1
InChIKey: ZGLSOBCUTUFGHE-LMEMKYRVSA-N