Basic Description

Synonyms	allylestrenol \| 432-60-0 \| Gestanin \| Gestanon \| Allyloestrenol \| Gestanol \| Orageston \| Turinal \| Organon \| Gestanyn \| Estrenol, allyl- \| 17-allylestr-4-en-17-beta-ol \| 17alpha-Allyl-4-estren-17beta-ol \| 17alpha-Allylestr-4-en-17beta-ol \| Perselin \| I47VB5DZ8O \| 17.alpha.-Allylestr-4-e
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Associated Targets(Human)

PGR Tclin Progesterone receptor (0 Activities)

Discover Target: PGR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (0 Activities)

Discover Target: APEX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

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
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
Canonical SMILES	CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=CCCC[C@H]34
PubChem CID	235905
Molecular Weight	300.48

Certificates

Certificate of Analysis(COA)

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3 results found

Lot Number	Certificate Type	Date	Item
G2315220	Certificate of Analysis	Jul 23, 2022	A303719
G2315230	Certificate of Analysis	Jul 23, 2022	A303719
G2315268	Certificate of Analysis	Jul 23, 2022	A303719

Chemical and Physical Properties

Refractive Index	1.552
Specific Rotation[α]	36° (C=1,CHCl3)
Flash Point(°C)	170.6ºC
Boil Point(°C)	405.4ºC
Melt Point(°C)	78 - 81ºC

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07
Signal	Warning
Hazard Statements	H351:Suspected of causing cancer H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H361:Suspected of damaging fertility or the unborn child
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P317:Get emergency medical help.
Merck Index	291

Solution Calculators

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SKU	Size	Availability	Price
A303719-250mg	250mg	In stock	$40.90
A303719-1g	1g	In stock	$89.90
A303719-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$356.90

Allylestrenol - 98%, high purity , CAS No.432-60-0