AG0036S0

979-32-8 | 3-Hydroxy-17β-valeroyloxyestra-1,3,5(10)-trien

AG0036S0

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CAS Number	979-32-8
Catalog Number	AG0036S0(AGN-PC-0W7P03)
Chemical Name	3-Hydroxy-17β-valeroyloxyestra-1,3,5(10)-trien
EC Number	213-559-2
IUPAC Name	[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
InChI	InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
InChI Key	RSEPBGGWRJCQGY-RBRWEJTLSA-N
MDL Number	MFCD00056541
Molecular Formula	C23H32O3
Molecular Weight	356.4984
NSC Number	17590
SMILES	C[C@@]12[C@@H](OC(CCCC)=O)CC[C@@]1([H])[C@]3([H])CCC4=C(C=CC(O)=C4)[C@@]3([H])CC2
UNII	OKG364O896
Synonyms	17 beta Estradiol, 17 beta Oestradiol, 17 beta-Estradiol, 17 beta-Oestradiol, Aerodiol, Delestrogen, Estrace, Estraderm TTS, Estradiol, Estradiol 17 alpha, Estradiol 17 beta, Estradiol 17beta, Estradiol Anhydrous, Estradiol Hemihydrate, Estradiol Hemihydrate, (17 alpha)-Isomer, Estradiol Monohydrate, estradiol valerate, estradiol valeriante, Estradiol, (+-)-Isomer, Estradiol, (-)-Isomer, Estradiol, (16 alpha,17 alpha)-Isomer, Estradiol, (16 alpha,17 beta)-Isomer, Estradiol, (17-alpha)-Isomer, Estradiol, (8 alpha,17 beta)-(+-)-Isomer, Estradiol, (8 alpha,17 beta)-Isomer, Estradiol, (9 beta,17 alpha)-Isomer, Estradiol, (9 beta,17 beta)-Isomer, Estradiol, Monosodium Salt, Estradiol, Sodium Salt, Estradiol-17 alpha, Estradiol-17 beta, Estradiol-17beta, Oestradiol, Ovocyclin, Progynon Depot, Progynon-Depot, Progynova, Vivelle, estradiol valerate, 979-32-8, Delestrogen, Estraval, Neofollin, Progynova, Femogex, Progynon-Depot, Estradiol valerianate, Estradiol 17-valerate, Oestradiol valerate, Atladiol, Climaval, Deladiol, Duratrad, Pharlon, Estate, Dura-estradiol, Exten strone, Depo estro med, Repo-Estra, Delestrogen 4X, Estraval PA, Estraval 2X, Estroval-10, Delahormone unimatic, Depo-Estro-Med, Femogen-L.A., Cyclocur, Gynokadin, Merimono, Nuvelle, Pelanin, Postoval, Primogyna, Ronfase, Estradiol Depot, Primogyn-Depot, Gynogen L.A. 20, Gynogen L.A. 40, Gynogen L.A. 10, ESTRADIOL, 17-VALERATE, Estradiol 17beta-valerate, Estradiol valerate (VAN), component of Ditate, UNII-OKG364O896, CCRIS 5571, Estradioli valeras [INN-Latin], Oestradiol-17b-valerate, Valerate d'estradiol [INN-French], EINECS 213-559-2, NSC 17590, Valerato de estradiol [INN-Spanish], component of Deluteval 2X, 17-BETA-ESTRADIOL 17-VALERATE, Estradiol 17.beta.-valerate, component of Mal-O-Fem L.A, MLS000028449, CHEBI:31561, RSEPBGGWRJCQGY-RBRWEJTLSA-N, OKG364O896, MFCD00056541, NSC-17590, 3-Hydroxy-17beta-valeroyloxyestra-1,3,5(10)-triene, SMR000058346, ST075188, beta-Estradiol 17-valerate, [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate, 17-pentanoyl-estra-1,3,5(10)-triene-3,17beta-diol, Valergen, Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-pentanoate, Estra-1,3,5(10)-triene-3,17-diol(17beta)-, 17-pentanoate, Estradioli valeras, estradiol-17-valerate, (1S,11S,14S,15S,10R)-5-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hepta deca-2,4,6-trien-14-yl pentanoate, Valerate d'estradiol, Valerato de estradiol, Pelanin depot, estradiol-valerate, Gynogen LA, Deladumone (TN), Femogen-L.A, NCGC00094673-01, CPD000058346, Estradiol valerate [USAN:INN:JAN], Gynogen L.A.10, Estradiol valerate [USP:INN:BAN:JAN], Opera_ID_444, Estradiol 17?-valerate, B-Estradiol 17-valerate, DSSTox_CID_3004, AC1L22HN, CHEMBL1511, DSSTox_RID_76827, DSSTox_GSID_23004, SCHEMBL40563, MLS001146931, ARONIS24416, 17|A-Estradiol-17-valerate, GTPL7655, DTXSID8023004, BBC/580, HMS2232L17, HMS3259C12, HMS3715B21, (8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl pentanoate, BCP11918, EBD28143, Estradiol valerate (JAN/USP/INN), HY-B0672, NSC17590, ZINC3881556, Tox21_111312, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-pentanoate, LMST02010039, s3149, SBB080821, AKOS005267158, API0002610, CCG-221130, CS-2904, KS-5213, MCULE-6732064308, NC00560, CAS-979-32-8, LS-64737, AB0106305, B1506, E0876, ST24046695, C12859, D01413, AB00382980_15, 124683-EP2295426A1, 124683-EP2295427A1, 979E328, A845765, SR-01000003061, Q-201506, SR-01000003061-3, 1,3,5(10)-Estratriene-3,17beta-diol 17-pentanote, 3-Hydroxy-17beta-valeroyloxyestra-1,3,5(10)-trien, BRD-K66766661-001-19-2, pentanoate d'estra-1,3,5(10)-tri ne-3-ol-17|A-yle, (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 17-valerate, (17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl pentanoate, Estra-1,5(10)-triene-3,17-diol (17.beta.)-, 17-pentanoate, Estradiol-17-valerate; 1,3,5(10)-Estratriene-3,17b-diol 17-pentanote, (1S,11S,14S,15S,10R)-5-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hepta deca-2(7),3,5-trien-14-yl pentanoate, [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate, pentanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester, Ditate, progynon, Deladumone, Cyclacur, Deluteval 2x, Primofol, Mixture Name, Estradiol valeate, estradiol valeriante, Androgyn L.A., component of Deladumone, DITATE-DS, |A-Estradiol 17-valerate, C23H32O3, CID13791, ACN-032015, beta-Estradiol 17-valerate, 98% 1g, C23-H32-O3, CS-O-14664, beta-Estradiol 17-valerate, 98% - 1G 1g, C015854, TESTOSTERONE ENANTHATE AND ESTRADIOL VALERATE, Estra-1,3,5(10)-trieno-3,17-diol (17beta )-, 17-pentanoato,

Complexity	518
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	356.235g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.506g/mol
Monoisotopic Mass	356.235g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

Lot Number