Basic information
- CAS
64204-55-3- Standard SMILES
O=C(CN1CCNCC1)NC1CCCCC1- InChIKey
RTFADALJKSFJDZ-UHFFFAOYSA-N- Molecular formula
- C12H23N3O
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.18411237
Overview
Esaprazole is a small molecule drug. The usage of the INN stem '-prazole' in the name indicates that Esaprazole is a benzimidazole derivative antiulcer medication. Esaprazole has a monoisotopic molecular weight of 225.18 Da.
Names & identifiers
- Preferred name
- Esaprazole
- IUPAC
- N-cyclohexyl-2-piperazin-1-ylacetamide
- English name
- N-Cyclohexyl-2-piperazin-1-yl-acetamide
- Molecular formula
- C12H23N3O
- Molecular weight
- 225.33
Names & synonyms
Esaprazole64204-55-3Exaprazolehexaprazole1-Piperazineacetamide, N-cyclohexyl-N-Cyclohexyl-1-piperazineacetamideEsaprazolumHexaprazolesaprazolDTXSID004614738QSU0IB5LDTXCID8026147
Show more names
C/63Esaprazole, 10 mM in DMSON-Cyclohexyl-2-piperazin-1-yl-aceN-Cyclohexyl(piperazin-1-yl)acetamideN-cyclohexyl-2-piperazin-1-ylacetamide dihydrochloride{[(Piperazin-1-yl)acetyl]amino}cyclohexane, 1-[2-(Cyclohexylamino)-2-oxoethyl]piperazine
esaprazoloN-((N-cyclohexylcarbamoyl)methyl)piperazineRefChem:137832N-cyclohexyl-2-(piperazin-1-yl)acetamideN-Cyclohexyl-2-piperazin-1-yl-acetamideN-cyclohexyl-2-piperazin-1-ylacetamideEsaprazole [INN]MFCD00865680
Database identifiers
- CAS
64204-55-3- PubChem CID
- 68835
- DTXSID
DTXSID0046147- ChEMBL
CHEMBL1983100
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 111 · 111-112°
- Boiling point
- 0.5 · bp0.5 190°
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 15.27 · 15.27±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 38 QSU0IB5L · 38QSU0IB5L
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
- Toxicity
- 50 in · LD50 in mice (mg/kg): 1974 orally; 271 i.v.; in rats (mg/kg): 3900 orally (Corvi-Mora)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- Toxicity
- LD50 in mice (mg/kg): 1974 orally; 271 i.v.; in rats (mg/kg): 3900 orally (Corvi-Mora)
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Applications
UsesEsaprazole (Hexaprazole) is an antiulcer agent that has the effect of promoting the healing of peptic ulcer. Esaprazole can inhibit the secretion of gastric acid and pepsin[1].
Suppliers13 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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