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Details

Stereochemistry MIXED
Molecular Formula C24H34N2O4.2Br
Molecular Weight 574.346
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEMICHOLINIUM DIBROMIDE

SMILES

[Br-].[Br-].C[N+]1(C)CCOC(O)(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(O)C[N+](C)(C)CCO4

InChI

InChIKey=OPYKHUMNFAMIBL-UHFFFAOYSA-L
InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H32N2O4
Molecular Weight 412.5219
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
18.0 nM [IC50]
12.0 nM [IC50]

PubMed

Substance Class Chemical
Record UNII
65NY3I7ZD0
Record Status Validated (UNII)
Record Version