Basic information
- CAS
40963-83-5- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCCCC2)oc2ccc(OC)cc12.[Cl-]- InChIKey
HGZSBQVMILARPH-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO4
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.1393859
Overview
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Names & identifiers
- Preferred name
- Ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
- IUPAC
- ethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
- English name
- 3-Benzofurancarboxylic acid, 5-methoxy-2-(1-piperidinylmethyl)-, ethyl ester, hydrochloride (1:1)
- Molecular formula
- C18H24ClNO4
- Molecular weight
- 353.84
Names & synonyms
3-Benzofurancarboxylic acid, 5-methoxy-2-(1-piperidinylmethyl)-, ethyl ester, hydrochloride (1:1)WAY-299845-Aethyl 5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate,chloride
Database identifiers
- CAS
40963-83-5- PubChem CID
- 38726
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Chemistry & industry
Suppliers16 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
河南伊诺凯新材料有限公司15764055027 15764055027 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
Aladdin Scientific[email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
Related reactions
0 records
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Compound notes
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