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3’-Hydroxyprostanozol

CAT: 0926-YWB99880-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YWB99880-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173998-80-5
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) C (=O) CC4) [H]) (CC[C@]1 (CC=5C (C2) =C (O) NN5) [H]) [H]) [H]
Molecular Formula
C20H28N2O2
Molecular Weight
328.45 g/mol
Controlled
No

Chemical Information

(5a)-5'-Hydroxy-1'H-androstano(3,2-c)pyrazol-17-one
CAS Number1173998-80-5
PubChem CID132917042
IUPAC Name(1S,2S,10S,13R,14S,18S)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icos-4(8)-ene-5,17-dione
Molecular FormulaC20H28N2O2
Molecular Weight328.4
XLogP3.5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity669
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C
InChI
InChI=1S/C20H28N2O2/c1-19-8-7-15-12(14(19)5-6-17(19)23)4-3-11-9-16-13(10-20(11,15)2)18(24)22-21-16/h11-12,14-15H,3-10H2,1-2H3,(H2,21,22,24)/t11-,12-,14-,15-,19-,20-/m0/s1
InChIKey
IBVOKGNUOPSVJY-PYDDOUHJSA-N
Chemical Structure
2D Structure
2D structure of (5a)-5'-Hydroxy-1'H-androstano(3,2-c)pyrazol-17-one
CAS: 1173998-80-5
CID: 132917042
Formula: C20H28N2O2
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass328.215078140
Monoisotopic Mass328.215078140
Topological Polar Surface Area58.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes