1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
Basic information
- CAS
19824-91-0- Standard SMILES
Cl.Cl.OCCN1CCCN(CCCN2c3ccccc3Sc3cc(Cl)cnc32)CC1- InChIKey
DZBNGFQESQYKRN-UHFFFAOYSA-N- Molecular formula
- C21H29Cl3N4OS
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 490.112766
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
- IUPAC
- 2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol;dihydrochloride
- English name
- 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b) (1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
- Molecular weight
- 0
Names & synonyms
19824-91-0D 12671H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochlorideDTXSID9017355010-(3-(4-Oxyaethylhomopiperazino)propyl-(1))-2-chlor-4-azaphenthiazin dihydrochlorid [German]10-(3-(4-Oxyaethylhomopiperazino)propyl-(1))-2-chlor-4-azaphenthiazin dihydrochloridRefChem:237161DTXCID20960412-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol;dihydrochloride2-{4-[3-(3-Chloro-10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl}ethan-1-ol--hydrogen chloride (1/2)1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b) (1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
Database identifiers
- CAS
19824-91-0- PubChem CID
- 209402
- DTXSID
DTXSID90173550
Properties
Computed structural properties
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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