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Molecule
ID:131524
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₃₂
Molecular Mass
260.45738
Exact Mass
260.25040102
Charge
0
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKey
QZLYKIGBANMMBK-UGCZWRCOSA-N
Canonic Smiles
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C
Isomeric Smiles
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CCCC[C@@]3([C@H]1CC2)C
Calculated Properties
JChem
LogD (pH = 7.4)
5.82
LogD (pH = 5.5)
5.82
Log P
5.82
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
33.54
Molar Refractivity
81.45
LOG S
-8.15
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
Registration numbers
Properties
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Safety Information
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Pharmacology Properties
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
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ChEBI
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
A0887
Academic Data
PubChem
94144
ChEBI
CHEBI:28859
Names and Identifiers
IUPAC name
(1S,2S,7R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0
2
,
7
.0
1
1
,
1
5
]heptadecane
(3aS,3bS,5aR,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene
Synonyms
Etioallocholane
5α-Androstane
5alpha-androstane
5alpha-Androstane
Androstane
IUPAC Traditional name
5α-androstane
Registration numbers
PubChem CID
94144
PubChem SID
162225802
24890466
8144264
EC Number
207-116-2
MDL Number
MFCD00067600
CAS Number
438-22-2
UniProt Database
P14060
P62044
Q3T001
O57539
Q9BY64
Q6AYQ2
Q8MIM3
Q14994
Q59327
P52895
Q91WR5
Q8WN97
Q04828
O35627
P70694
P71864
O75795
P62045
Q9QUS1
A2T7D9
O14756
SureChEMBL Database
SCHEMBL157803
ACToR Database
438-22-2
24887-75-0
Beilstein Number
2043119
CHEBI ID
CHEBI:28859
CHEBI:2712
CHEBI:20638
CompTox Database
DTXSID2036532
PubMed Citation Links
13749674
LIPID MAPS Instance
LMST02020056
KEGG ID
C01554
Properties
Safety Information
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
Pharmacology Properties
Gene Information
human ... UGT1A4(54657)
Source
Molecule Details
Sigma Aldrich
A0887
Other Notes
Serves as the parent steroid skeleton for all androgens, but the hydrocarbon itself is not naturally occurring.
ChEBI
CHEBI:28859
The 5alpha-stereoisomer of androstane.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem CID
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PubChem SID
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EC Number
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MDL Number
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CAS Number
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UniProt Database
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SureChEMBL Database
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ACToR Database
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Beilstein Number
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CHEBI ID
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CompTox Database
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PubMed Citation Links
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LIPID MAPS Instance
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KEGG ID