Basic information
- CAS
78718-25-9- Standard SMILES
Cl.NC(N)=NCC1CCC(C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1- InChIKey
ZNYYFCHDQJQKOK-UHFFFAOYSA-N- Molecular formula
- C23H28ClN3O4
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.17683406
Overview
Benexate hydrochloride is an organic molecular entity.
Names & identifiers
- Preferred name
- Benexate hydrochloride
- IUPAC
- benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate;hydrochloride
- English name
- Benexate hydrochloride
- Molecular formula
- C23H27N3O4.ClH
- Molecular weight
- 445.94
Names & synonyms
Benexate hydrochloride78718-25-9QVN4YYK2C686157-90-6Benzyl 2-((4-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochlorideBenzyl salicylate trans-4-(guanidinomethyl)cyclohexanecarboxylate hydrochlorideBenzyl 2-((trans-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochloridebenzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate;hydrochlorideBenexate HClUNII-QVN4YYK2C6SCHEMBL932658SCHEMBL9099560
Show more names
C13182TKG 01(4β-(Guanidinomethyl)-1α-cyclohexanecarboxylic acid o-(benzyloxycarbonyl)phenyl)·hydrochloride2-[[[4α-(Guanidinomethyl)cyclohexane-1β-yl]carbonyl]oxy]benzoic acid phenylmethyl·hydrochlorideBenzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochlorideBenzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochloride, trans-
CHEBI:31258DTXSID80999968BENEXATE HYDROCHLORIDE [MI](+/-)-BENEXATE HYDROCHLORIDEBENEXATE HYDROCHLORIDE [MART.]BENEXATE HYDROCHLORIDE [WHO-DD]benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate,hydrochlorideQ27114246
Database identifiers
- CAS
78718-25-9- PubChem CID
- 444040
- DTXSID
DTXSID80999968- ChEBI
CHEBI:31258- UNII
- QVN4YYK2C6
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Melting point
- 83 ° · 83°
- FDA UNII
- 4 YYK2C6 · QVN4YYK2C6
Chemistry & industry
Applications
DescriptionBenexate hydrochloride is a cytoprotective agent useful in the treatment of ulcers. In experimental models benexate inhibits the decrease of PGE2 and PGI2 induced by indomethacin or stress. Its relatively long duration of action offers a distinct advantage over other cytoprotective drugs.
Suppliers4 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京红胜火生物科技有限公司025-58311670 18020159086 · [email protected]
Additional notes
DefinitionChEBI: Benexate hydrochloride is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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