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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29BrO2
Molecular Weight 393.358
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Monobromo-cannabidiol

SMILES

CCCCCC1=C(Br)C(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1

InChI

InChIKey=ZGLBJRARNUQZPX-DLBZAZTESA-N
InChI=1S/C21H29BrO2/c1-5-6-7-8-15-12-18(23)19(21(24)20(15)22)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H29BrO2
Molecular Weight 393.358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:11:42 GMT 2023
Edited
by admin
on Sat Dec 16 20:11:42 GMT 2023
Record UNII
XG3DLQ4CWG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Monobromo-cannabidiol
Common Name English
1,3-Benzenediol, 4-bromo-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-
Systematic Name English
4-Bromo-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Systematic Name English
1,3-Benzenediol, 4-bromo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
Systematic Name English
Code System Code Type Description
CAS
112639-10-8
Created by admin on Sat Dec 16 20:11:42 GMT 2023 , Edited by admin on Sat Dec 16 20:11:42 GMT 2023
PRIMARY
PUBCHEM
155575366
Created by admin on Sat Dec 16 20:11:42 GMT 2023 , Edited by admin on Sat Dec 16 20:11:42 GMT 2023
PRIMARY
FDA UNII
XG3DLQ4CWG
Created by admin on Sat Dec 16 20:11:42 GMT 2023 , Edited by admin on Sat Dec 16 20:11:42 GMT 2023
PRIMARY