Trilostane, min.98% (HPLC)

Name: Trilostane
Brand: Chempure

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CAS Number

13647-35-3

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IUPAC name	(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
inchi	InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
inchi key	KVJXBPDAXMEYOA-CXANFOAXSA-N
molecular formula	C20H27NO3
synonyms	Trilostane 13647-35-3 Modrenal Vetoryl Desopan
Compound Description	Trilostane can cause developmental toxicity according to state or federal government labeling requirements. Trilostane is an epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. It has a role as an antineoplastic agent, an abortifacient and an EC 1.1.1.210 [3beta-hydroxysteroid dehydrogenase] inhibitor. It is a 3-hydroxy steroid, a 17beta-hydroxy steroid, an androstanoid, an epoxy steroid and a nitrile. Trilostane is an inhibitor of 3 beta-hydroxysteroid dehydrogenase used in the treatment of Cushing's syndrome. It was withdrawn from the United States market in April 1994. Trilostane is a synthetic derivative of androstane with adrenocortical suppressive properties. Trilostane reversibly inhibits 3 beta-hydroxysteroid dehydrogenase delta 5-4 isomerase in the adrenal cortex, resulting in the decreased synthesis of mineralocorticoids and glucocorticoids and the decreased conversion of pregnenolone to progesterone. TRILOSTANE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1984 and is indicated for adrenal gland disease and has 1 investigational indication.

Computed Properties

Molecular Weight:	329.4 g/mol
XLogP3:	2.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	329.19909372 g/mol
Monoisotopic Mass:	329.19909372 g/mol
Topological Polar Surface Area:	76.8 Å²
Heavy Atom Count:	24
Formal Charge:	0
Complexity:	692
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	8
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (97.9%) Eye Irrit. 2A (97.9%) Repr. 2 (100%)
precautionary statement codes	P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501
hazard statements	H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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IUPAC name	(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
inchi	InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
inchi key	KVJXBPDAXMEYOA-CXANFOAXSA-N
molecular formula	C20H27NO3
synonyms	Trilostane 13647-35-3 Modrenal Vetoryl Desopan
Compound Description	Trilostane can cause developmental toxicity according to state or federal government labeling requirements. Trilostane is an epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. It has a role as an antineoplastic agent, an abortifacient and an EC 1.1.1.210 [3beta-hydroxysteroid dehydrogenase] inhibitor. It is a 3-hydroxy steroid, a 17beta-hydroxy steroid, an androstanoid, an epoxy steroid and a nitrile. Trilostane is an inhibitor of 3 beta-hydroxysteroid dehydrogenase used in the treatment of Cushing's syndrome. It was withdrawn from the United States market in April 1994. Trilostane is a synthetic derivative of androstane with adrenocortical suppressive properties. Trilostane reversibly inhibits 3 beta-hydroxysteroid dehydrogenase delta 5-4 isomerase in the adrenal cortex, resulting in the decreased synthesis of mineralocorticoids and glucocorticoids and the decreased conversion of pregnenolone to progesterone. TRILOSTANE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1984 and is indicated for adrenal gland disease and has 1 investigational indication.

Computed Properties

Molecular Weight:	329.4 g/mol
XLogP3:	2.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	329.19909372 g/mol
Monoisotopic Mass:	329.19909372 g/mol
Topological Polar Surface Area:	76.8 Å²
Heavy Atom Count:	24
Formal Charge:	0
Complexity:	692
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	8
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (97.9%) Eye Irrit. 2A (97.9%) Repr. 2 (100%)
precautionary statement codes	P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501
hazard statements	H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Product No: DT9005

Trilostane, min.98% (HPLC)

Product No: DT9005

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: DT9005

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?