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1255639-56-5

1255639-56-5 Structure

1255639-56-5 Structure
IdentificationBack Directory
[Name]

16α-Estriol-13C3 (16α-Hydroxyestradiol-[2,3,4-13C3]) (CertiMass solution)
[CAS]

1255639-56-5
[Synonyms]

Estriol 13C3
Estriol-2,3,4-13C?
Estriol-2,3,4-13C3
Estriol-2,3,4-13C3 99 atom % 13C, 97% (CP)
Estriol-2,3,4-13C3 (100 μg/ml In Methanol)
16α-Hydroxyestradiol-[2,3,4-13C3](Solution)
16α-Hydroxyestradiol-[2,3,4-13C3] (Solution)
16α-Hydroxyestradiol-[2,3,4-13C3] in Methanol
16α-Hydroxyestradiol-[2,3,4-13C3](estriol-13C3)
2,3,4-13C3]-16α-Hydroxyestradiol([13C3]-Estriol)
Estriol-[13C3] (16α-Hydroxyestradiol-[2.3.4-13C3]
Estriol-[13C3] (16α-Hydroxyestradiol-[2,3,4-13C3])
ESTRIOL(16ALPHA-HYDROXYESTRADIOL)97%PURITY(2,3,4-13C3)
ESTRIOL(16 ALPHA-HYDROXYESTRADIOL) 97% PURITY(2,3,4-13C3, 99%)
ESTRIOL (16 ALPHA-HYDROXYESTRADIOL) (2,3,4-13C3,99%) CHEMICAL PURITY 97%
16α-Estriol-13C3 (16α-Hydroxyestradiol-[2,3,4-13C3]) (CertiMass solution)
ESTRIOL (16 ALPHA-HYDROXYESTRADIOL) 97% PURITY (2,3,4-13C3, 99%) 100 UG/ML IN METHANOL
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
[Molecular Formula]

C18H24O3
[MDL Number]

MFCD17015263
[MOL File]

1255639-56-5.mol
[Molecular Weight]

291.408
Chemical PropertiesBack Directory
[Melting point ]

280-282°C (lit.)
[storage temp. ]

-20°C
[form ]

powder
[InChI]

1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
[InChIKey]

PROQIPRRNZUXQM-FDFADMNFSA-N
[SMILES]

C[C@]12CC[C@H]3[C@@H](CCc4[13cH][13c](O)[13cH]cc34)[C@@H]1C[C@@H](O)[C@@H]2O
[CAS Number Unlabeled]

50-27-1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

60-61-40
[Safety Statements ]

53-36/37-45
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Carc. 2
Repr. 1B
Hazard InformationBack Directory
[Uses]

Estriol-13C3 is the 13C-labeled Estriol. Estriol is an antagonist of the G-protein coupled estrogen receptor in estrogen receptor-negative breast cancer cells.
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110
[2] Morinaga, A., et al., Effects of sex hormones on Alzheimer's disease-associated beta-amyloid oligomer formation in vitro. Exp Neurol, 2011. 228(2): p. 298-302. DOI:10.1016/j.expneurol.2011.01.011
[3] Begum, M., et al., Neonatal estrogenic exposure suppresses PTEN-related endometrial carcinogenesis in recombinant mice. Lab Invest, 2006. 86(3): p. 286-96. DOI:10.1038/labinvest.3700380
[4] Hewitt, S.C. and K.S. Korach, Estrogenic activity of bisphenol A and 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane (HPTE) demonstrated in mouse uterine gene profiles. Environ Health Perspect, 2011. 119(1): p. 63-70. DOI:10.1289/ehp.1002347
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