Basic information
- CAS
54556-98-8- Standard SMILES
CCCOC(C(=O)OC1CC[NH+](C)CC1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
KFUJMHHNLGCTIJ-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO3
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1914215
Overview
See also: Propiverine Hydrochloride (preferred).
Names & identifiers
- Preferred name
- Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride
- IUPAC
- (1-methylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate chloride
- English name
- Propiverine hydrochloride
- Molecular formula
- C23H30ClNO3
- Molecular weight
- 403.94
Names & synonyms
Propiverine HClDiphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloridePropiverine hydrochloride [JAN](1-methylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate;chlorideP-4CCRIS 3443UNII-DC4GZD10H3NSC 172140alpha,alpha-Diphenyl-alpha-n-propoxyacetic acid 1-methylpiperidyl-4-ester hydrochloridealpha-Phenyl-alpha-propoxybenzeneacetic acid 1-methyl-4-piperidinyl ester hydrochlorideBenzeneacetic acid, alpha-phenyl-alpha-propoxy-, 1-methyl-4-piperidinyl ester, hydrochlorideACETIC ACID, DIPHENYLPROPOXY-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE
Show more names
Bup-4UrecureNoraguardNsc172140PollarinemictonormUronaverineMictonettenYansuan Bingpaiweilin
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 224 · 224-226°C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble5mg/mL, clear (warmed)
- form
- powder
- color
- white to beige
- Water Solubility
- 2 O: · H2O: 5mg/mL, clear (warmed)
- InChI
- InChI=1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
- InChIKey
- KFUJMHHNLGCTIJ-UHFFFAOYSA-N
- SMILES
- C(OCCC)(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1C=CC=CC=1.Cl
- CAS DataBase Reference
- 54556 · 54556-98-8(CAS DataBase Reference)
- FDA UNII
- 4 GZD10H3 · DC4GZD10H3
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Protein binding
- 90 · 90-95%
- Excreted unchanged in urine
- 1 % · <1%
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
- wgk
- 3
- rtecs
- AH3297000
- Toxicity
- LD50 in male, female mice, male, female rats (mg/kg): 36, 36, 22, 25 i.v.; 223, 283, 1632, 1411 s.c.; 410, 323, 1000, 1092 orally (Yamashita)
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
DescriptionPropiverine hydrochloride is a new urological agent developed for pollakuria and aconuresis. It appears to exhibit anticholinergic properties and in animal experiments inhibited KCl induced contractions in the bladder and ileum.
UsesPropiverine is used in treatment of urinary incontinence. Propiverine is an anticholinergic.
General DescriptionPropiverine hydrochloride drug is a tertiary amine with spasmolytic and analgesic properties. This drug exerts neurotropic and musculotropic effects on the urinary bladder and smooth muscles. Propiverine hydrochloride has a half-life of 20 hours.
Suppliers100 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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