AG00IAOE

60282-87-3 | 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17a)-

AG00IAOE

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CAS Number	60282-87-3
Catalog Number	AG00IAOE(AGN-PC-0SVJXH)
Chemical Name	18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17a)-
EC Number	262-145-8
IUPAC Name	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
InChI	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChI Key	SIGSPDASOTUPFS-XUDSTZEESA-N
MDL Number	MFCD00867858
Molecular Formula	C21H26O2
Molecular Weight	310.4299
SMILES	C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(C=C[C@]2(C#C)O)[H]
UNII	1664P6E6MI
Synonyms	13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one, 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one, Gestoden, Gestodene, Gestodene, ((17alpha)-(+-))-isomer, SH B 3331, GESTODENE, 60282-87-3, Gestoden, Gestodenum [INN-Latin], Gestodeno [INN-Spanish], Gestodeno, Gestodenum, SH B 331, Gestodene [USAN:INN:BAN], UNII-1664P6E6MI, CCRIS 9189, HSDB 3594, EINECS 262-145-8, BRN 4237181, 1664P6E6MI, Gestinol, 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one, 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-, DSSTox_CID_26478, DSSTox_RID_81649, DSSTox_GSID_46478, (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one, 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one, Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-, CAS-60282-87-3, NCGC00164611-01, SH B 3331, AC1MHWNV, Gestodene (USAN/INN), SCHEMBL37271, CHEMBL1213583, DTXSID6046478, Gestodene, >=98% (HPLC), SHB 331, SHB-331, SHT-546, CHEBI:135323, SIGSPDASOTUPFS-XUDSTZEESA-N, WL 70, 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one, BCP22665, HY-B0110, Tox21_112232, MFCD00867858, s1376, SH-546, 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one, AKOS024462671, Tox21_112232_1, ZINC238809420, CS-1862, DB06730, NCGC00263565-01, AC-20038, AJ-45699, AK161682, AS-13029, CC-28967, LS-62068, SC-27288, AB2000072, FT-0082507, G0404, ST24047328, D04316, AB01274782-01, AB01274782_02, 282G873, A832668, C-19235, Q-101426, BRD-K97197005-001-03-2, Gestodene, European Pharmacopoeia (EP) Reference Standard, 17alpha -Ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one, 17alpha-ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one, 17alpha-ethynyl-17beta-hydroxy-18-methyl-estra-4,15-dien-3-one, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17a)-, (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-6,12-dien-5-one, (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one, null, ethinylestradiol, gestodene, Gestodene [USAN:BAN:INN], C21H26O2, 17-(2-Propenyl)estr-4-en-17-ol, Gestodene, 99% - 100mg 100mg, ACN-029234, C21-H26-O2, CID3033968, CS-O-30926, Gestodene, ((17alpha)-(+-))-isomer, H056, B1517, C033273, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17.alpha.)-,

Complexity	648
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	310.193g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	310.437g/mol
Monoisotopic Mass	310.193g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H361
Packing Group	Ⅲ
Precautionary statements	P281
UN Code	UN 2811

Certificate of Analysis

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