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52-78-8 molecular structure
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(1S,2R,10R,11S,14S,15S)-14-ethyl-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

ChemBase ID: 130400
Molecular Formular: C20H30O2
Molecular Mass: 302.451
Monoisotopic Mass: 302.2245802
SMILES and InChIs

SMILES:
O=C1C=C2[C@@H]([C@H]3CC[C@]4([C@@H](CC[C@@]4(O)CC)[C@@H]3CC2)C)CC1
Canonical SMILES:
CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI:
InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey:
ZDHCJEIGTNNEMY-XGXHKTLJSA-N

Cite this record

CBID:130400 http://www.chembase.cn/molecule-130400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14S,15S)-14-ethyl-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
IUPAC Traditional name
norethandrolone
Synonyms
(17α)-17-Hydroxy-19-norpregn-4-en-3-one-d5
17-Ethyl-19-nortestosterone
17α-Ethyl-19-nortestosterone
17α-Ethyl-17-hydroxy-19-norandrost-4-en-3-one
17-ENT
CB 8022
NSC 70581
NSC 9893
Nileva
Nilevar
Pronabol
SC 5914
Solevar
U 6817
(8''R'',9''S'',10''R'',13''S'',14''S'',17''S'')-17-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[''a'']phenanthren-3-one
Norethandrolone
CAS Number
52-78-8
PubChem SID
162224679
PubChem CID
5858
ATC CODE
A14AA09
Chemspider ID
5649
KEGG ID
D07127
Unique Ingredient Identifier
P7W01638W6
Wikipedia Title
Norethandrolone

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
N675000 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8684747  LogD (pH = 7.4) 3.8684752 
Log P 3.8684752  Molar Refractivity 89.1169 cm3
Polarizability 35.103523 Å3 Polar Surface Area 37.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 19.278753 

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 - N675000 external link
Controlled substance (anabolic steroid). Androgen.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kintz, P., et al.: J. Pharm. Biomed. Anal., 24, 1125 (2001)
  • • Gambelunghe, C., et al.: J. Appl. Toxicol., 25, 205 (2001)
  • • Shen, M., et al.: Steroids, 74, 773 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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