Mitotane, (S)-
Basic information
- CAS
102976-58-9- Standard SMILES
Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1- InChIKey
JWBOIMRXGHLCPP-ZDUSSCGKSA-N- Molecular formula
- C14H10Cl4
- Average molar mass
- 320 g/mol
- Monoisotopic mass
- 317.953661
Names & identifiers
- Preferred name
- Mitotane, (S)-
- IUPAC
- 1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
- English name
- (-)-o,p'-DDD
- Molecular formula
- C14H10Cl4
- Molecular weight
- 320.04
Names & synonyms
Mitotane, (S)-Mitotane, (-)-102976-58-9B2J688UBOBUNII-B2J688UBOBBenzene, 1-chloro-2-((1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl)-(-)-o,p'-DDD(S)-mitotane1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzeneLopac-C-3010SCHEMBL4041BIDD:PXR0164
Show more names
Benzene, 1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]-Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-, (S)-Benzene, 1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]- (9CI)
BIDD:ER0521CHEMBL15726551-chloro-4-[(1S)-2,2-dichloro-1-(2-chlorophenyl)ethyl]benzeneEBC-12026NCGC00015226-01EN300-27126240Q27274283(2S)-1,1-Dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
Database identifiers
- CAS
102976-58-9- PubChem CID
- 6603772
- ChEMBL
CHEMBL1572655- UNII
- B2J688UBOB
- Nikkaji
- J3.049.510A
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 398.9 · 398.9±37.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- FDA UNII
- 2 J688UBOB · B2J688UBOB
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Related reactions
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Compound notes
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