Exemestane Related Compound A

CAT: 0926-UAA45755-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-UAA45755-01Size:100 mg

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CAS Number

19457-55-7

MDL Number

MFCD09038727

Smiles

C[C@]12CC[C@H]3[C@H] ([C@@H]1CCC2=O) CC (=C) C4=CC (=O) CC[C@]34C

Molecular Formula

C20H26O2

Molecular Weight

298.42 g/mol

Controlled

Yes

Chemical Information

6-Methyleneandrost-4-ene-3,17-dione

CAS Number	19457-55-7
PubChem CID	12951800
IUPAC Name	(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Formula	C20H26O2
Molecular Weight	298.4
XLogP	2.6
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	613

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)CC[C@]34C

InChI

InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

InChIKey

KQRGETZTRARSMA-DAELLWKTSA-N

Chemical Structure

2D Structure

CAS: 19457-55-7

CID: 12951800

Formula: C20H26O2

MW: 298.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.4
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	298.193280068
Monoisotopic Mass	298.193280068
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JHA97209-01	Exemestane
FM23211-01	Exemestane
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
WJB55015-01	Fluconazole Related Compound A

Catalog	Name
AR-E02272-01	Exemestane Related Compound
AR-E02275-01	Exemestane Related Compound 2
CS-O-15281	Exemestane Related Compound C
AR-E02274-01	Exemestane Related Compound 1
AR-E02276-01	Exemestane Related Compound 2 (17-alpha Isomer)
AR-E02277-01	Exemestane Related Compound 2 (17-beta Isomer)
AR-E10924-01	6-beta-Exemestane EP Impurity B (6-beta-Exemestane USP Related Compound B)
CS-EG-03533	Tramadol Related Compound A
CS-T-93662	Vinorelbine Related Compound A
CS-O-16666	Valrubicin related compound