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YM116

CAT: 0013-GTR19241607-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241607-01Size:50 mg
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Description
YM116 is a potent and selective inhibitor of the C17-20 lyase enzyme, effectively suppressing the production of adrenal androgens. This small molecule is a valuable research tool for investigating androgen-dependent pathways in vitro and in vivo, with applications in endocrinology and oncology research.
CAS Number
183012-13-7
Smiles
N1=CNC (=C1) CC=2C=CC3=C (C2) NC=4C=CC=CC43
Molecular Formula
C16H13N3
Molecular Weight
247.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YM-116

structure in first source

CAS Number183012-13-7
PubChem CID9795793
IUPAC Name2-(1H-imidazol-5-ylmethyl)-9H-carbazole
Molecular FormulaC16H13N3
Molecular Weight247.29
XLogP3.5
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity319
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)CC4=CN=CN4
InChI
InChI=1S/C16H13N3/c1-2-4-15-13(3-1)14-6-5-11(8-16(14)19-15)7-12-9-17-10-18-12/h1-6,8-10,19H,7H2,(H,17,18)
InChIKey
SHWQRVBJVFBWGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YM-116
CAS: 183012-13-7
CID: 9795793
Formula: C16H13N3
MW: 247.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.29
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass247.110947427
Monoisotopic Mass247.110947427
Topological Polar Surface Area44.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T202921-01YM116

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