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13583-21-6 molecular structure
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(1S,2R,10R,11S,14S,15S)-6-chloro-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

ChemBase ID: 128658
Molecular Formular: C18H25ClO2
Molecular Mass: 308.8429
Monoisotopic Mass: 308.15430772
SMILES and InChIs

SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC1=C(C(=O)CC[C@H]31)Cl
Canonical SMILES:
O=C1CC[C@H]2C(=C1Cl)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
InChI:
InChI=1S/C18H25ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h10-12,14,16,21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1
InChIKey:
OZDDFAQVVGFDJP-YGRHGMIBSA-N

Cite this record

CBID:128658 http://www.chembase.cn/molecule-128658.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14S,15S)-6-chloro-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
IUPAC Traditional name
norclostebol
Synonyms
4-Chloro-17β-hydroxyestr-4-en-3-one
Norclostebol
(17β)-4-Chloro-17-hydroxyestr-4-en-3-one
4-Chloro-19-nortestosterone
4-Chloronortestosterone
Anabol-4-19
Lentabol
CAS Number
13583-21-6
PubChem SID
162222965
PubChem CID
166576
Wikipedia Title
Norclostebol

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.377705  H Acceptors
H Donor LogD (pH = 5.5) 3.4543283 
LogD (pH = 7.4) 3.4543285  Log P 3.4543285 
Molar Refractivity 84.746 cm3 Polarizability 33.257553 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - N661480 external link
A 4-substituted Testosterone (T155000) analog. An anabolic steroid.

REFERENCES

REFERENCES

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  • • Maravelias, C., et al.: Toxicol. Lett., 158, 167 (2005)
  • • Pozo, O., et al.: Anal. Bioanal. Chem., 389, 1209 (2005)
  • • Kicman, A., et al.: Br. J. Pharmacol., 154, 502 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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