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Details

Stereochemistry ACHIRAL
Molecular Formula C30H44N2O10
Molecular Weight 592.6778
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXOBENDINE

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=KRQAMFQCSAJCRH-UHFFFAOYSA-N
InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C30H44N2O10
Molecular Weight 592.6778
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

Description

Hexobendine (Ustimon or ST7090) is a vasodilator. It inhibits uptake of adenosine and cAMP. Hexobendine was investigated in clinical trials for the treatment of cerebrovascular and coronary artery diseases.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.4 µM [IC50]
0.7 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
B6X4SYR93B
Record Status Validated (UNII)
Record Version