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Trilostane - Bio-X TM

CAT: 0926-BT300134Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BT300134Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13647-35-3
Synonyms
Win-24540; Modrenal; Modrastane; Desopan
MDL Number
MFCD00199295
Smiles
C[C@]12CC[C@H]3[C@H] ([C@@H]1CC[C@@H]2O) CC[C@]45[C@@]3 (CC (=C ([C@H]4O5) O) C#N) C
Molecular Formula
C20H27NO3
Molecular Weight
329.43 g/mol
Controlled
No

Chemical Information

Trilostane

Trilostane can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number13647-35-3
PubChem CID656583
IUPAC Name(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
Molecular FormulaC20H27NO3
Molecular Weight329.4
XLogP2.9
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity692
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C
InChI
InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
InChIKey
KVJXBPDAXMEYOA-CXANFOAXSA-N
Chemical Structure
2D Structure
2D structure of Trilostane
CAS: 13647-35-3
CID: 656583
Formula: C20H27NO3
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass329.19909372
Monoisotopic Mass329.19909372
Topological Polar Surface Area76.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS3601506-01Trilostane

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