Basic information
- Standard SMILES
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C.O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O- InChIKey
NGHYPSLQNVIXPG-PPHPATTJSA-N- Molecular formula
- C32H28Cl2N2O7
- Average molar mass
- 623.5 g/mol
- Monoisotopic mass
- 622.1273566
Names & identifiers
- Preferred name
- Niclosamide cryptotanshinone mixture
- IUPAC
- 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Names & synonyms
DTXSID201380053Niclosamide cryptotanshinone mixture2349390-20-9
Database identifiers
- CAS
2349390-20-9- PubChem CID
- 177844709
- DTXSID
DTXSID201380053
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 975
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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