Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
Basic information
- CAS
20906-52-9- Standard SMILES
CN1CC[NH+](C2Cc3ccccc3Sc3ccc([N+](=O)[O-])cc32)CC1.O=C([O-])/C=C\C(=O)O- InChIKey
FIFASUIQVWVKCG-BTJKTKAUSA-N- Molecular formula
- C23H25N3O6S
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.1464067
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
- IUPAC
- (Z)-4-hydroxy-4-oxobut-2-enoate;1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-4-ium
Names & synonyms
DIBENZO(b,f)THIEPIN, 10,11-DIHYDRO-10-(4-METHYLPIPERAZINO)-8-NITRO-, MALEATE20906-52-9RefChem:1083334Nitrothepin maleateNitrothiepine maleate8-Nitro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleatePiperazine, 1-(10,11-dihydro-8-nitrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate
Database identifiers
- CAS
20906-52-9- PubChem CID
- 6433769
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 607
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…