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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11O5.Cl
Molecular Weight 306.698
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PELARGONIDIN CHLORIDE

SMILES

[Cl-].OC1=CC=C(C=C1)C2=[O+]C3=CC(O)=CC(O)=C3C=C2O

InChI

InChIKey=YPVZJXMTXCOTJN-UHFFFAOYSA-N
InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H

HIDE SMILES / InChI

Molecular Formula C15H10O5
Molecular Weight 270.2369
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
16.4 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
DFL6200791
Record Status Validated (UNII)
Record Version