AG007HRB

313-06-4 | Estra-1,3,5(10)-triene-3,17-diol(17b)-, 17-cyclopentanepropanoate

AG007HRB

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CAS Number	313-06-4
Catalog Number	AG007HRB(AGN-PC-0R6LVS)
Chemical Name	Estra-1,3,5(10)-triene-3,17-diol(17b)-, 17-cyclopentanepropanoate
EC Number	206-237-8
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] 3-cyclopentylpropanoate
InChI	InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1
InChI Key	UOACKFBJUYNSLK-XRKIENNPSA-N
MDL Number	MFCD00056558
Molecular Formula	C26H36O3
Molecular Weight	396.5622
NSC Number	3354
SMILES	C[C@@]12[C@@H](OC(CCC3CCCC3)=O)CC[C@@]1([H])[C@]4([H])CCC5=C(C=CC(O)=C5)[C@@]4([H])CC2
UNII	7E1DV054LO
Synonyms	Depo-estradiol, estradiol 17 beta-cyclopentylpropionate, estradiol 17 beta-cypionate, estradiol cypionate, estradiol cypionate, Depofemin, Depoestradiol, Depo-Estradiol, 313-06-4, Depoestra, Estradep, Estrapo, Estro-Depo, Dep-Estro, Femogen CYP, depGynogen, Depoestradiol cypionate, beta-Estradiol 17-cypionate, Estradiol 17-cypionate, Estradiol cyclopentylpropionate, Pertradiol, Estradiol (cypionate), E. Ionate P.A., Neoginon Depositum, Estradiol 17-cyclopentylpropionate, Depo-estradiol cyclopentylpropionate, ECP (VAN), Estradiol 17beta-cypionate, NSC 3354, UNII-7E1DV054LO, Cyclopentanepropionic acid, 17-ester with estradiol, Estradiol 17-cyclopentanepropionate, EINECS 206-237-8, Estradiol, 17-cyclopentanepropionate, Estradiol 17beta-cylopentylpropionate, Estradiol cypionate [USP], Estradiol 17beta-cyclopentanepropionate, BRN 3171075, 17.beta.-Estradiol cypionate, 17beta-Estradiol 17-cyclopentylpropionate, Estradiol 17.beta.-cypionate, 7E1DV054LO, CHEBI:34745, NSC3354, UOACKFBJUYNSLK-XRKIENNPSA-N, MFCD00056558, Estradiol 17beta-cyclopentylpropionate, beta-Estradiol 17-Cyclopentylpropionate, 17.beta.-Estradiol cyclopentylpropionate, Estradiol 17.beta.-cyclopentylpropionate, 17.beta.-Estradiol cyclopentanepropionate, Estradiol 17.beta.-cyclopentanepropionate, 17.beta.-Estradiol 17-cyclopentylpropionate, DSSTox_CID_2999, Estradiol cypionate (USP), DSSTox_RID_76824, DSSTox_GSID_22999, C26H36O3, Estra-1,3,5(10)-triene-3,17beta-diol 17-(cyclopentanepropionate), Cyclopentanepropionic acid, 3-hydroxyestra-1,3,5(10)-trien-17beta-yl ester, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate, Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 17-cyclopentanepropanoate, estradiol 17 beta-cypionate, (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 3-cyclopentylpropanoate, [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate, CAS-313-06-4, SMR000058700, Estradiol cypionate [USAN], Depestro, NSC-3354, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate, estradiol-cypionate, NCGC00166134-01, E. Ionate P.A, Depo-estradiol (TN), estradiol 17 beta-cyclopentylpropionate, AC1L1SYP, SCHEMBL41551, 4-09-00-00047 (Beilstein Handbook Reference), MLS000069763, MLS001074891, 17|A-Estradiol-17-cypionate, 17beta-Estradiol 17-cypionate, CHEMBL1200973, DTXSID4022999, HMS2234K11, (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 3-cyclopentylpropanoate, BCP11930, HY-B1100, ZINC3876078, Tox21_110003, Tox21_112331, Tox21_301818, ANW-43364, s4046, AKOS015895730, Tox21_112331_1, ACN-032014, API0002258, CS-4691, EBD2157881, KS-5296, Estradiol 17.beta.-cylopentylpropionate, NCGC00013034-01, NCGC00166134-02, NCGC00166134-03, NCGC00255333-01, LS-64732, NCI60_002938, ST075189, E0875, C14640, D04063, 313D064, W-106910, 1,3,5(10)-Estratriene-3,17|A-diol 17-cyclopentylpropionate, 1,3,5(10)-Estratriene-3,17beta-diol 17-cyclopentylpropionate, 3,17|A-Hydroxy-1,3,5(10)-estratriene 17-cyclopentylpropionate, 3,17beta-Hydroxy-1,3,5(10)-estratriene 17-cyclopentylpropionate, (17?)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate, (17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl 3-cyclopentylpropanoate, 17.beta.-[(3-Cyclopentylpropanoyl)oxy]estra-1,3,5(10)-trien-3-ol, Estra-1,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate, Estra-1,5(10)-triene-3,17-diol, (17.beta.)-, 17-cyclopentanepropanoate, Estradiol cypionate, United States Pharmacopeia (USP) Reference Standard, (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 17.beta.-cyclopentanepropanoate, Cyclopentanepropionic acid, 3-hydroxyestra-1,3,5(10)-trien-17.beta.-yl ester, Depo-Testadiol, Lunelle, Mixture Name, DEPO, component of Depo-Testadiol, Depo-Testadiol (Salt/Mix), component of Mal-O-Fem CYP, CID9403, C26-H36-O3, estradiol 17 beta-cyclopentanepropionate, component of Mal-O-Fem CYP (Salt/Mix), B1501, TESTOSTERONE CYPIONATE-ESTRADIOL CYPIONATE, C007630, ECP, beta-Estradiol 17-cypionate, 98%, an ET-1 inhibitor - 1G 1g, Estra-1,3,5(10)-triene-3,17-diol(17b)-, 17-cyclopentanepropanoate, Estra-1,3,5(10)-trieno-3,17-diol (17?)-, 17-coclopentanopropanoato, Estra-1,3,5(10)-triene-3,17-diol, 17-cyclopentanepropanoate, (17.beta.)-,

Complexity	597
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	396.266g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	396.571g/mol
Monoisotopic Mass	396.266g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H350-H360
Packing Group	Ⅲ
Precautionary statements	P201-P261-P280-P301+P312+P330-P308+P313
UN Code	UN 2811

Certificate of Analysis

Lot Number