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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18O7
Molecular Weight 358.3428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMATE B

SMILES

COc1cc(ccc1O)/C(/[H])=C(\[H])/C(=O)OCC(=O)Cc2ccc(c(c2)O)O

InChI

InChIKey=AOAGZRJZUKYLHH-QPJJXVBHSA-N
InChI=1S/C19H18O7/c1-25-18-10-12(2-6-16(18)22)4-7-19(24)26-11-14(20)8-13-3-5-15(21)17(23)9-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+

HIDE SMILES / InChI

Molecular Formula C19H18O7
Molecular Weight 358.3428
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:17:56 UTC 2021
Edited
by admin
on Sat Jun 26 16:17:56 UTC 2021
Record UNII
2SU4LF1JGS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMATE B
Common Name English
2-PROPENOIC ACID, 3-(4-HYDROXY-3-METHOXYPHENYL)-, 3-(3,4-DIHYDROXYPHENYL)-2-OXOPROPYL ESTER, (2E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5315876
Created by admin on Sat Jun 26 16:17:56 UTC 2021 , Edited by admin on Sat Jun 26 16:17:56 UTC 2021
PRIMARY
CAS
478294-17-6
Created by admin on Sat Jun 26 16:17:56 UTC 2021 , Edited by admin on Sat Jun 26 16:17:56 UTC 2021
PRIMARY
FDA UNII
2SU4LF1JGS
Created by admin on Sat Jun 26 16:17:56 UTC 2021 , Edited by admin on Sat Jun 26 16:17:56 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT