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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18NO3.Br
Molecular Weight 316.191
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROCOTARNINE METHOBROMIDE

SMILES

[Br-].COC1=C2OCOC2=CC3=C1C[N+](C)(C)CC3

InChI

InChIKey=UIXXWUYHGLYWEP-UHFFFAOYSA-M
InChI=1S/C13H18NO3.BrH/c1-14(2)5-4-9-6-11-13(17-8-16-11)12(15-3)10(9)7-14;/h6H,4-5,7-8H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C13H18NO3
Molecular Weight 236.2869
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:47:45 GMT 2025
Edited
by admin
on Mon Mar 31 20:47:45 GMT 2025
Record UNII
T4041ER86L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIOXOLO)4,5-G)ISOQUINOLINIUM, 5,6,7,8-TETRAHYDRO-4-METHOXY-6,6-DIMETHYL-, BROMIDE (1:1)
Preferred Name English
HYDROCOTARNINE METHOBROMIDE
MI  
Common Name English
HYDROCOTARNINE METHOBROMIDE [MI]
Common Name English
HYDROCOTARNINE METHYLBROMIDE
Common Name English
Code System Code Type Description
PUBCHEM
71586835
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID10208570
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
MERCK INDEX
m6095
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY Merck Index
FDA UNII
T4041ER86L
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
CAS
5985-03-5
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY