H4637

4-Hydroxyestradiol

• Synonym(s): 1,3,5(10)-Estratriene-3,4,17β-triol
• Empirical Formula (Hill Notation): C₁₈H₂₄O₃
• CAS Number: 5976-61-4
• Molecular Weight: 288.38
• NACRES: NA.77
• PubChem Substance ID: 24895648
• UNSPSC Code: 51111800
• MDL number: MFCD00063335

Properties

• Quality Segment: 100
• storage temp.: −20°C
• SMILES string: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4c(O)c(O)ccc24
• InChI: 1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
• InChI key: QOZFCKXEVSGWGS-ZHIYBZGJSA-N
• Gene Information: human ... ESR1(2099) ; rat ... Ar(24208)

Description

Biochem/physiol Actions

4-Hydroxyestradiol, an metabolite of estradiol, forms adducts with adenine (N³) and guanine (N⁷) by depurinating sites in DNA of cultured human breast epithelial cells. This effect may play an important role in malignant transformation of these cells.

Safety Information

• pictograms: GHS08
• signalword: Warning
• hcodes: H351
• pcodes: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Carc. 2
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• ppe: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges