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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12BrNO2
Molecular Weight 258.112
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BR-4,5-MDA, (S)-

SMILES

C[C@H](N)CC1=C(Br)C=C2OCOC2=C1

InChI

InChIKey=PHCFFGXVMHXBGD-LURJTMIESA-N
InChI=1S/C10H12BrNO2/c1-6(12)2-7-3-9-10(4-8(7)11)14-5-13-9/h3-4,6H,2,5,12H2,1H3/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12BrNO2
Molecular Weight 258.112
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:20:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:20:09 GMT 2023
Record UNII
UNN9JJV49N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BR-4,5-MDA, (S)-
Common Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, 6-BROMO-.ALPHA.-METHYL-, (.ALPHA.S)-
Systematic Name English
(.ALPHA.S)-6-BROMO-.ALPHA.-METHYL-1,3-BENZODIOXOLE-5-ETHANAMINE
Systematic Name English
2-BROMO-4,5-METHYLENEDIOXYAMPHETAMINE, (S)-
Common Name English
Code System Code Type Description
CAS
1336792-45-0
Created by admin on Sat Dec 16 18:20:10 GMT 2023 , Edited by admin on Sat Dec 16 18:20:10 GMT 2023
PRIMARY
PUBCHEM
163203611
Created by admin on Sat Dec 16 18:20:10 GMT 2023 , Edited by admin on Sat Dec 16 18:20:10 GMT 2023
PRIMARY
FDA UNII
UNN9JJV49N
Created by admin on Sat Dec 16 18:20:10 GMT 2023 , Edited by admin on Sat Dec 16 18:20:10 GMT 2023
PRIMARY
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