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

Details

Stereochemistry RACEMIC
Molecular Formula C18H21ClO4
Molecular Weight 336.81
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARTHRIN, CIS-(±)-

SMILES

CC(C)=C[C@H]1[C@@H](C(=O)OCC2=CC3=C(OCO3)C=C2Cl)C1(C)C

InChI

InChIKey=KPMWGGRSOPMANK-LRDDRELGSA-N
InChI=1S/C18H21ClO4/c1-10(2)5-12-16(18(12,3)4)17(20)21-8-11-6-14-15(7-13(11)19)23-9-22-14/h5-7,12,16H,8-9H2,1-4H3/t12-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H21ClO4
Molecular Weight 336.81
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 09:34:24 GMT 2023
Edited
by admin
on Sat Dec 16 09:34:24 GMT 2023
Record UNII
A9J2PVM66M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARTHRIN, CIS-(±)-
Common Name English
BARTHRIN, DL-CIS-
Common Name English
(6-CHLORO-1,3-BENZODIOXOL-5-YL)METHYL (1RS,3SR)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
3246051
Created by admin on Sat Dec 16 09:34:24 GMT 2023 , Edited by admin on Sat Dec 16 09:34:24 GMT 2023
PRIMARY
FDA UNII
A9J2PVM66M
Created by admin on Sat Dec 16 09:34:24 GMT 2023 , Edited by admin on Sat Dec 16 09:34:24 GMT 2023
PRIMARY