L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(2-thienylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
Basic information
- CAS
134186-16-6- Standard SMILES
Cl.O=C(c1cccs1)N1CCN([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])CC1- InChIKey
MTJBHMOISQESQR-FBNCXKDQSA-N- Molecular formula
- C15H20ClN3O6S
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.0761342
Names & identifiers
- Preferred name
- L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(2-thienylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
- IUPAC
- [(3S,3aR,6S,6aS)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Names & synonyms
5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl134186-16-6L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(2-thienylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochlorideRefChem:350728DTXSID509285031,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-L-iditol--hydrogen chloride (1/1)1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)
Database identifiers
- CAS
134186-16-6- PubChem CID
- 3077415
- DTXSID
DTXSID50928503
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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