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(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-16,17-diol
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ChemBase ID:
171313
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Molecular Formular:
C21H32N2O2
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Molecular Mass:
344.49098
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Monoisotopic Mass:
344.24637827
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SMILES and InChIs
SMILES:
c12c(C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3)[C@H]3[C@](CC1)([C@]([C@H](C3)O)(O)C)C)C)[nH]nc2
Canonical SMILES:
O[C@H]1C[C@@H]2[C@]([C@@]1(C)O)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1c(C2)[nH]nc1
InChI:
InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)8-13(19)4-5-14-15(19)6-7-20(2)16(14)9-18(24)21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey:
IZGBPAAEPVNBGA-BWPSUJIGSA-N
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Cite this record
CBID:171313 http://www.chembase.cn/molecule-171313.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-16,17-diol
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IUPAC Traditional name
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(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-16,17-diol
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Synonyms
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(5α,16β,17β)-17-Μethyl-2'H-αndrost-2-eno[3,2-c]pyrazole-16,17-diol
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16β-Hydroxystanozolol
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16β-OH-stanozolol
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16β-Hydroxy Stanozolol
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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13.48621
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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2.6221519
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LogD (pH = 7.4)
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2.6225092
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Log P
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2.622514
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Molar Refractivity
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98.6145 cm3
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Polarizability
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38.450405 Å3
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Polar Surface Area
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69.14 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Chung, B., et al.: J. Anal. Toxicol., 14, 91 (1990)
- • Schanzer, W., et al.: J. Steroid Biochem., 36, 153 (1990)
- • Phillis, B., et al.: Eur. J. Pharmacol., 398, 263 (1990)
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PATENTS
PATENTS
PubChem Patent
Google Patent