AG00IDI2

850-52-2 | Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17b)-

AG00IDI2

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CAS Number	850-52-2
Catalog Number	AG00IDI2(AGN-PC-0UX0JU)
Chemical Name	Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17b)-
EC Number	212-703-1
IUPAC Name	(8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChI	InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1
InChI Key	VWAUPFMBXBWEQY-ANULTFPQSA-N
MDL Number	MFCD00867855
Molecular Formula	C21H26O2
Molecular Weight	310.4299
SMILES	C[C@@]12[C@](CC=C)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CCC4=C3C=C2)=O
UNII	2U0X0JA2NB
Synonyms	17 alpha-allyl-17-beta-hydroxyestra-4,9,11-trien-3-one, 17 alpha-allyl-estratriene 4,9,11,17 beta-ol-one, 17-allyltrenbolone, allyl trenbolone, altrenogest, Regumate, Ru-2267, Altrenogest, 850-52-2, Allyltrenbolone, Regumate, UNII-2U0X0JA2NB, RU-2267, DRC 6246, A-35957, RU 2267, 2U0X0JA2NB, Allyl trenbolone, R 2267, A 35957, REGU-MATE, Altrenogestum [INN-Latin], DSSTox_CID_28789, DSSTox_RID_83058, DSSTox_GSID_48863, Altrenogest [USAN:INN:BAN], Altrenogestum, EINECS 212-703-1, Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17b)-, (8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, CAS-850-52-2, 17alpha-Allyl-17-hydroxyestra-4,9,11-trien-3-one, 17-alpha-Allyl-estratriene-4,9,11,17-beta-ol-3-one, Altrenogestrel, Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-, NCGC00183119-01, Altrenogest (USAN/INN), ESTRA-4,9,11-TRIEN-3-ONE, 17-alpha-ALLYL-17-HYDROXY-, SCHEMBL140056, (17beta)-17-Hydroxy-17-(2-propenyl)estra-4,9,11-trien-3-one, CHEMBL1315492, DTXSID3048863, HMS3715D18, BCP13100, DRC-6246, HY-B0521, ZINC4214784, Tox21_113356, RU2267, s3167, AKOS025310098, Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propen-1-yl)-, (17beta)-, Tox21_113356_1, CCG-221218, CS-2740, RH-2267, NCGC00166309-01, NCGC00166309-02, AS-12848, A35957;Allyltrenbolone;R2267;RU2267, B1503, ST24045941, A35957, D02840, AB01566827_01, Altrenogest, VETRANAL(TM), analytical standard, 850A522, A841082, 17|A-Allyl-17-hydroxyestra-4,9,11-trien-3-one, Q-101420, (17?)-17-Allyl-17-hydroxyestra-4,9,11-trien-3-one, 17-|A-Allyl-17-|A-hydroxyoestra-4,9,11-trien-3-one, 17-alpha-Allyl-17-beta-hydroxyestra-4,9,11-trien-3-one, (17|A)-17-Hydroxy-17-(2-propen-1-yl)estra-4,9,11-trien-3-one, (17|A)-17-Hydroxy-17-(2-propenyl)estra-4,9,11-trien-3-one, Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17-beta)- (9CI), (8S,13S,14S,17R)-13-methyl-17-oxidanyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, (8S,13S,14S,17R)-17-allyl-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one, Ethynyl trienolone, Altrenogest [USAN:BAN:INN], C21H26O2, ACN-031997, C21-H26-O2, CID10041070, A2892, R2267, 17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one, Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17-beta)-, Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17.beta.)-,

Complexity	665
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number