Basic information
- CAS
80-50-2- Standard SMILES
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]- InChIKey
QSFKGMJOKUZAJM-CNKDKAJDSA-M- Molecular formula
- C17H32BrNO2
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 361.16164
Overview
See also: Anisotropine Methylbromide (annotation moved to).
Names & identifiers
- Preferred name
- Anisotropine methylbromide
- IUPAC
- [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide
- English name
- ANISOTROPINE METHYLBROMIDE
- Molecular formula
- C17H32NO2.Br
- Molecular weight
- 362.35
Names & synonyms
ANISOTROPINE METHYLBROMIDE80-50-2Octatropine methylbromideValpinValpin 50methyloctatropine bromideEndovalpinMethylbromure d'octatropineMetilbromuro de octatropinaOctotropine methylbromideAnisotropine (methobromide)DTXSID8022612
Show more names
VapinC06830endo-idendo-omidOctatropineAnisotropinmethylbromidOctatropine metylbromide
MLS000028664MLS00114693562M960DHILOctatropini methylbromidumMethyloctatropine bromide (JAN)Octatropine methylbromide (INN)Octatropine methylbromide [INN]Lytispasm
Database identifiers
- CAS
80-50-2- PubChem CID
- 657201
- DTXSID
DTXSID8022612- ChEMBL
CHEMBL1578- UNII
- 62M960DHIL
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility>54.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 329 ° · 329°
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 62 M960DHIL · 62M960DHIL
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H400
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
- Hazard Codes
- Xn,N
- Risk Statements
- 20 · 20/21/22-50/53
- Safety Statements
- 36 · 36-61-60
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
- YM3710000
- ridadr
- UN 3077 9/PG 3
- risk_code
- 20/21/22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 36-61-60
- hazard_class
- 9
- Hazard statements
- H302+H312+H332-H400
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P273-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
- Hazardous Substances Data
- 80-50-2(Hazardous Substances Data)
Chemistry & industry
Applications
UsesAnisotropine Methylbromide is a antichloindergic agent and has been used for relief of gastrointestinal spasm and for the suppression of gastric acid secretion. Anisotropine Methylbromide was found to be potentially useful in the treatment of duodenal ulcer disease.
Upstream & downstream products
Upstream raw materials
Suppliers30 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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