U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:56 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:56 UTC 2023
Record UNII
65NY3I7ZD0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEMICHOLINIUM DIBROMIDE
MI  
Common Name English
HEMICHOLINE
Common Name English
HEMICHOLINIUM BROMIDE
Common Name English
HC-3
Common Name English
HEMICHOLINIUM-3
Common Name English
MORPHOLINIUM, 2,2'-(1,1'-BIPHENYL)-4,4'-DIYLBIS(2-HYDROXY-4,4-DIMETHYL-, BROMIDE (1:2)
Systematic Name English
HEMICHOLINIUM 3 DIBROMIDE
Common Name English
HEMICHOLINIUM-3 BROMIDE
Common Name English
NSC-527583
Code English
HEMICHOLINIUM DIBROMIDE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
9399
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID80883358
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
WIKIPEDIA
Hemicholinium-3
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
CAS
312-45-8
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
MERCK INDEX
m5948
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY Merck Index
NSC
527583
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
FDA UNII
65NY3I7ZD0
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-227-3
Created by admin on Sat Dec 16 08:25:57 UTC 2023 , Edited by admin on Sat Dec 16 08:25:57 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY