Zolantidine dimaleate
Basic information
- CAS
104076-39-3- Standard SMILES
O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1- InChIKey
IECBEVAUEBZJCF-SPIKMXEPSA-N- Molecular formula
- C30H35N3O9S
- Average molar mass
- 613.7 g/mol
- Monoisotopic mass
- 613.20940088
Names & identifiers
- Preferred name
- Zolantidine dimaleate
- IUPAC
- bis((Z)-but-2-enedioic acid);N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
- English name
- SKF 95282
- Molecular formula
- C22H27N3OS2C4H4O4
- Molecular weight
- 0
Names & synonyms
Zolantidine dimaleate104076-39-3DTXSID7045811UNII-AL1YII70LMAL1YII70LMDTXCID5025811N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine dimaleate2-Benzothiazolamine, N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, (2Z)-2-butenedioate (1:2)RefChem:196210SKF 95282 dimaleateZolantidine (dimaleate)NCGC00094486-01
Show more names
n-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-2-benzothiazolamineZolantidine, N-[3-[3-(1-Piperidinylmethyl)phenoxy]propyl]-2-benzothiazolamine
N-(3-(3-(Piperidin-1-ylmethyl)phenoxy)propyl)benzo[d]thiazol-2-amine dimaleate(Z)-but-2-enedioic acid;N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amineCAS-104076-39-3SR-01000075175CHEMBL1529009EX-A15368AHMS3263J12HMS3412E11
Database identifiers
- CAS
104076-39-3- PubChem CID
- 11957725
- DTXSID
DTXSID7045811- ChEMBL
CHEMBL1529009- UNII
- AL1YII70LM
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Powder
- color
- White to off-white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- FDA UNII
- 1 YII70LM · AL1YII70LM
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesSKF-95282 Dimaleate Salt is a histamine (H2) receptor antagonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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