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Product No: CF3945

Allylestrenol, >98.0%

Name: Allylestrenol
Brand: Chempure

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CAS Number

432-60-0

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IUPAC name	(8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
canonical smiles	CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34
inchi	InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
inchi key	ATXHVCQZZJYMCF-XUDSTZEESA-N
molecular formula	C21H32O
synonyms	allylestrenol 432-60-0 Gestanin Allyloestrenol Gestanon
Compound Description	Allylestrenol is a steroid. It derives from a hydride of an estrane. A synthetic steroid with progestational activity. It is widely marketed throughout Europe, including Russia and many other European countries, and is also available in Japan, Hong Kong, India, Bangladesh, Indonesia, and much of Southeast Asia, though notably not in the United States or Canada. A synthetic steroid with progestational activity.

Computed Properties

Molecular Weight:	300.5 g/mol
XLogP3:	5.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	300.245315640 g/mol
Monoisotopic Mass:	300.245315640 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	492
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

Related Compounds

Estradiol

Ethinyl Estradiol

Progesterone

Norethindrone

Fluoxymesterone

Norgestrel

Oxandrolone

Ethylestrenol

Norethynodrel

2-Methoxyestradiol

Gestrinone

Desogestrel

Danazol

Chrysene

Methandrostenolone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (95%) Acute Tox. 4 (90%) Carc. 2 (90%) Repr. 2 (95%)
precautionary statement codes	P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501
hazard statements	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (90%): Suspected of causing cancer [Warning Carcinogenicity] H361 (95%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
canonical smiles	CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34
inchi	InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
inchi key	ATXHVCQZZJYMCF-XUDSTZEESA-N
molecular formula	C21H32O
synonyms	allylestrenol 432-60-0 Gestanin Allyloestrenol Gestanon
Compound Description	Allylestrenol is a steroid. It derives from a hydride of an estrane. A synthetic steroid with progestational activity. It is widely marketed throughout Europe, including Russia and many other European countries, and is also available in Japan, Hong Kong, India, Bangladesh, Indonesia, and much of Southeast Asia, though notably not in the United States or Canada. A synthetic steroid with progestational activity.

Computed Properties

Molecular Weight:	300.5 g/mol
XLogP3:	5.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	300.245315640 g/mol
Monoisotopic Mass:	300.245315640 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	492
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

Related Compounds

Estradiol

Ethinyl Estradiol

Progesterone

Norethindrone

Fluoxymesterone

Norgestrel

Oxandrolone

Ethylestrenol

Norethynodrel

2-Methoxyestradiol

Gestrinone

Desogestrel

Danazol

Chrysene

Methandrostenolone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (95%) Acute Tox. 4 (90%) Carc. 2 (90%) Repr. 2 (95%)
precautionary statement codes	P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501
hazard statements	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (90%): Suspected of causing cancer [Warning Carcinogenicity] H361 (95%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Product No: CF3945

Allylestrenol, >98.0%

Product No: CF3945

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CF3945

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?