Basic information
- CAS
43047-59-2- Standard SMILES
CC[NH+](CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2.CS(=O)(=O)[O-]- InChIKey
XMBJPJHCAJZCLU-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O4S2
- Average molar mass
- 484 g/mol
- Monoisotopic mass
- 483.1053264
Names & identifiers
- Preferred name
- 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, methanesulfonate (salt)
- IUPAC
- 2-[5-chloro-10-(hydroxymethyl)-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate
Names & synonyms
2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, methanesulfonate (salt)RefChem:1064952IA 4 methanesulfonate43047-59-22H-(1)-Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl-, monomethanesulfonate
Database identifiers
- CAS
43047-59-2- PubChem CID
- 39375
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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