Azastene

CAT: 0931-T71015-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71015-02Size:50 mg

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CAS Number

13074-00-5

Target

Others

Related Pathways

Others

Bioactivity

Azastene is a progesterone antagonist that has been shown to inhibit ovarian & adrenal steroidogenesis in rats.

Smiles

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@](C)(O)CC4)[H])(CC=C1C(C)(C)C5=C(C2)C=NO5)[H])[H]

Molecular Formula

C23H33NO2

Molecular Weight

355.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(17beta)-4,4,17-Trimethylandrosta-2,5-dieno(2,3-d)isoxazol-17-ol

Azastene is a small molecule drug. Azastene has a monoisotopic molecular weight of 355.25 Da.

CAS Number	13074-00-5
PubChem CID	11725766
IUPAC Name	(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-ol
Molecular Formula	C23H33NO2
Molecular Weight	355.5
XLogP	4.7
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	657

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC=C4[C@@]3(CC5=C(C4(C)C)ON=C5)C

InChI

InChI=1S/C23H33NO2/c1-20(2)18-7-6-15-16(21(18,3)12-14-13-24-26-19(14)20)8-10-22(4)17(15)9-11-23(22,5)25/h7,13,15-17,25H,6,8-12H2,1-5H3/t15-,16+,17+,21-,22+,23+/m1/s1

InChIKey

AXLOCHLTNQDFFS-BESJYZOMSA-N

Chemical Structure

2D Structure

CAS: 13074-00-5

CID: 11725766

Formula: C23H33NO2

MW: 355.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	355.251129295
Monoisotopic Mass	355.251129295
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	657
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5813556	Azastene

Azastene

Chemical Information

Alternative Products

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