BICUCULLINE METHOCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20NO6.Cl
Molecular Weight	417.84
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].C[N+]1(C)CCC2=CC3=C(OCO3)C=C2[C@H]1[C@@H]4OC(=O)C5=C6OCOC6=CC=C45

InChI

InChIKey=RLJKFAMYSYWMND-GRTNUQQKSA-M

InChI=1S/C21H20NO6.ClH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H20NO6
Molecular Weight	382.3866
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
GABA-A receptor; anion channel 203 Target ID: CHEMBL1907607 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3027337 \| https://www.ncbi.nlm.nih.gov/pubmed/3000559	Antagonist 2849		38.0 µM [Ki]
Small conductance calcium-activated potassium channel protein 3 3 Target ID: CHEMBL3780 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18998663	Inhibitor 8504		7.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:43:56 GMT 2025` Edited by `admin` on `Mon Mar 31 19:43:56 GMT 2025`
Record UNII	I3UNE1K4AF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIOXOLO(4,5-G)ISOQUINOLINIUM, 5-(6,8-DIHYDRO-8-OXOFURO(3,4-E)-1,3-BENZODIOXOL-6-YL)-5,6,7,8-TETRAHYDRO-6,6-DIMETHYL-, CHLORIDE, (R-(R*,S*))-

Preferred Name

English

BICUCULLINE METHOCHLORIDE

Common Name

English

Code System Code Type Description

CAS

38641-83-7