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Org 33201

CAT: 0013-GTR19209519-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209519-03Size:100 mg
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Description
Org 33201 is a highly effective small molecule inhibitor of the aromatase enzyme. It is utilized in research to study estrogen biosynthesis and has applications in both in vitro enzymatic assays and in vivo models of hormone-dependent conditions.
CAS Number
148714-92-5
Smiles
Cl.CCSc1ccc2CCC[C@]3 (CC) C[C@H] (Cn4ccnc4) Cc1c23
Molecular Formula
C21H28N2S
Molecular Weight
340.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Org 33201
CAS Number148714-92-5
PubChem CID196932
IUPAC Name1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride
Molecular FormulaC21H29ClN2S
Molecular Weight377.0
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity428
SMILES
CC[C@]12CCCC3=C1C(=C(C=C3)SCC)C[C@H](C2)CN4C=CN=C4.Cl
InChI
InChI=1S/C21H28N2S.ClH/c1-3-21-9-5-6-17-7-8-19(24-4-2)18(20(17)21)12-16(13-21)14-23-11-10-22-15-23;/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3;1H/t16-,21-;/m1./s1
InChIKey
CQCWQGXXUFLLAL-KTWHHOSASA-N
Chemical Structure
2D Structure
2D structure of Org 33201
CAS: 148714-92-5
CID: 196932
Formula: C21H29ClN2S
MW: 377.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass376.1739978
Monoisotopic Mass376.1739978
Topological Polar Surface Area43.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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