Basic information
- CAS
260779-88-2- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC.O- InChIKey
QBYYXIDJOFZORM-LBPAWUGGSA-N- Molecular formula
- C23H31ClFN3O5
- Average molar mass
- 484 g/mol
- Monoisotopic mass
- 483.193627
Overview
See also: Cisapride (annotation moved to); Alimix (annotation moved to).
Names & identifiers
- Preferred name
- Cisapride monohydrate
- IUPAC
- 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
- English name
- CISAPRIDEMONOHYDRATE
- Molecular formula
- C23H29ClFN3O4.H2O
- Molecular weight
- 483.96
Names & synonyms
Cisapride monohydrateCisapride monohydrate [Orange Book]260779-88-2Cisapride hydrateUNII-VZV0A4I38WVZV0A4I38WAcenalin(R,S)-CISAPRIDE MONOHYDRATEPropulsinRisamolBenzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis monohydrate4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
Show more names
D02092EnteropridePropulsid (tn)Cisapride (jan)Cisapride (200 mg)Cisapride (1134120)Cisapride monohydrate - Bio-X ?4-aMino-5-chloro-N-((3R,4S)-1-(3-(4-fluorophenoxy)propyl)-3-Methoxypiperidin-4-yl)-2-MethoxybenzaMide hydratecis-4-Amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenxamide monohydraterel-4-Amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-benzamide Monohydrate
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 581
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/mL · DMSO: ~30mg/mL
- form
- solid
- color
- white
- Water Solubility
- Water: Insoluble
- InChIKey
- QBYYXIDJOFZORM-IKGOIYPNSA-N
- SMILES
- O.CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c3cc(Cl)c(N)cc3OC
- FDA UNII
- 0 A4I38W · VZV0A4I38W
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- CU9372000
- hs_code
- 2933399090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Applications
UsesCisapride USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia. Also, for use with USP monographs such as: Cisapride Compounded Injection, Veterinary Cisapride Compounded Oral Suspension, Veterinary
Suppliers37 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Syntechem Co.,Ltd[email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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