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AG003PYT

434-03-7 | Ethisterone

AG003PYT

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CAS Number	434-03-7
Catalog Number	AG003PYT(AGN-PC-0RRQKU)
Chemical Name	Ethisterone
EC Number	207-096-5
IUPAC Name	(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI	InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChI Key	CHNXZKVNWQUJIB-CEGNMAFCSA-N
MDL Number	MFCD00003656
Molecular Formula	C21H28O2
Molecular Weight	312.4458
SMILES	O=C1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@](O)(C#C)CC[C@@]4([H])[C@]3([H])CCC2=C1
UNII	P201BVY1MJ
Synonyms	17 alpha Ethynyltestosterone, 17 alpha-Ethynyltestosterone, Anhydrohydroxyprogesterone, Ethisterone, Pregneninolone, ethisterone, 434-03-7, Pregneninolone, 17alpha-Ethynyltestosterone, Aethisteronum, Ethisteronum, Etisterona, Ethinyl testosterone, Aethisteron, Anhydrohydroxyprogesterone, Nugestoral, Progestoral, Ethynyltestosterone, UNII-P201BVY1MJ, 17alpha-Ethinyltestosterone, Anhydroxyprogesterone, 17alpha-Ethinyl testosterone, Progestolets, Syngestrotabs, Ethinone, Prodroxan, Produxan, Progestab, Trosinone, Ora-Lutin, Ethinyltestosterone, P201BVY1MJ, Praegninum, Colutoid, Gestoral, Nalutoral, Pregnin, Prodoxan, Prolutol, Prone, Lucorteum Oral, MLS000069396, CHEMBL241694, Lutidon Oral, Progestin P, Primolut C, Proluton C, CHEBI:34749, (17alpha)-17-hydroxypregn-4-en-20-yn-3-one, 17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one, Etisterone [DCIT], 17-beta-Hydroxy-17-alpha-ethynyl-4-androsten-3-one, MFCD00003656, 17-Ethinyltestosterone, SMR000058320, 17-Ethinyl testosterone, DSSTox_CID_3016, Ethisteronum [INN-Latin], Etisterona [INN-Spanish], 17-Ethynyl-17beta-hydroxyandrost-4-en-3-one, Testosterone, 17-ethynyl-, 17-alpha-Ethynyltestosterone, DSSTox_RID_76831, DSSTox_GSID_23016, (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, Etisterone, NSC 9565, EINECS 207-096-5, Ethisterone anhydrohydroxyprogesterone, BRN 1889895, AI3-26421, 17-Hydroxy-17-alpha-pregn-4-en-20-yn-3-one, Androst-4-en-3-one, 17alpha-ethynyl-17-hydroxy-, Ethisterone [INN:BAN:NF], NCGC00095023-01, NCGC00159363-02, CAS-434-03-7, 17 beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one, AC1NR4OD, 17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-, Opera_ID_1078, Prestwick3_000261, 17\|A-Ethynyltestosterone, EC 207-096-5, SCHEMBL24475, BSPBio_000102, 4-08-00-01225 (Beilstein Handbook Reference), MLS001076282, BPBio1_000114, DTXSID2023016, Ethisterone, >=99% (HPLC), CHNXZKVNWQUJIB-CEGNMAFCSA-N, HMS2090E14, HMS2095F04, HMS2234J08, HMS3712F04, (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, BCP23355, HY-B0487, ZINC3881635, Tox21_111393, Tox21_111604, Tox21_302324, BBL028141, BDBM50198711, s2611, STK801873, AKOS005622724, Tox21_111604_1, AC-2170, BCP9000664, CCG-220261, CS-2603, MCULE-2690578106, NCGC00021466-03, NCGC00021466-05, NCGC00021466-06, NCGC00255184-01, AS-13381, I034, BCP0726000218, AB2000700, 4,17alpha-Pregnen-17beta-ol-20-yn-3-one, AB00490005, B1502, E0040, 17-hydroxy-17alpha-pregn-4-en-20-yn-3-one, C14487, 17beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one, AB00384255-11, AB00384255-13, AB00384255_14, Ethisterone, VETRANAL(TM), analytical standard, 434E037, A826270, SR-01000002984, 17alpha-ethynyl-17beta-hydroxy-androst-4-en-3-one, SR-01000002984-2, BRD-K03981224-001-02-9, 17alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy- (8CI), Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17-alpha)- (9CI), Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)- (9CI), (8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one, Lutocylol, Pranone, null, Ethisterone [BAN:INN], Ethisterone [INN:BAN], 17 alpha Ethynyltestosterone, 17 alpha-Ethynyltestosterone, C21H28O2, ACN-032011, C21-H28-O2, CID5284557, D005003, Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17a)-, Pregn-4-en-20-in-3-ona, 17-hidroxi-, (17alfa)-, Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)-, Ethisterone, 98%, a progestogen hormone being considered to treat prostate cancer - 1G 1g,

Complexity	638
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	312.209g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.453g/mol
Monoisotopic Mass	312.209g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited