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

Details

Stereochemistry RACEMIC
Molecular Formula C11H16BrNO3.ClH
Molecular Weight 326.615
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOB HYDROCHLORIDE

SMILES

Cl.COC(CN)C1=C(OC)C=C(Br)C(OC)=C1

InChI

InChIKey=AFEAQBIKCCTEDX-UHFFFAOYSA-N
InChI=1S/C11H16BrNO3.ClH/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3;/h4-5,11H,6,13H2,1-3H3;1H

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 C11H16BrNO3
Molecular Weight 290.154
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:47:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:42 GMT 2023
Record UNII
V5Y6SRF77G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOB HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 4-BROMO-.BETA.,2,5-TRIMETHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
2,5,.BETA.-TRIMETHOXY-4-BROMOPHENETHYLAMINE HYDROCHLORIDE
Systematic Name English
BOB (PSYCHEDELIC) HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 4-BROMO-.BETA.,2,5-TRIMETHOXY-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
98537-39-4
Created by admin on Sat Dec 16 18:47:42 GMT 2023 , Edited by admin on Sat Dec 16 18:47:42 GMT 2023
PRIMARY
PUBCHEM
156588947
Created by admin on Sat Dec 16 18:47:42 GMT 2023 , Edited by admin on Sat Dec 16 18:47:42 GMT 2023
PRIMARY
FDA UNII
V5Y6SRF77G
Created by admin on Sat Dec 16 18:47:42 GMT 2023 , Edited by admin on Sat Dec 16 18:47:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE