Basic information
- CAS
53866-33-4- Standard SMILES
[2H]c1cc2c(c([2H])c1O)CCC1C2CCC2(C)C1CC[C@@H]2O- InChIKey
VOXZDWNPVJITMN-CKJOQQCQSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.1901835
Names & identifiers
- Preferred name
- (2,4-~2~H_2_)Estra-1(10),2,4-triene-3,17-diol
- IUPAC
- (17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 1,3,5[10]-Estratriene-2,4-d2-3,17beta-diol
- Molecular formula
- C18H24O2
- Molecular weight
- 272.39
Names & synonyms
SCHEMBL29072864DTXSID50968641F90850(2,4-~2~H_2_)Estra-1(10),2,4-triene-3,17-diol(2,4-~2~H_2_)Estra-1(10),2,4-triene-3,17alpha-dioloestradiol-d2β-estradiol-d2β-Estradiol-d?17-Estradiol-d217β-Estradiol-d2Estradiol-2,4-d2beta-Estradiol-d2
Show more names
17BETA-ESTRADIOL-D217β-Estradiol-2?4-[d2][2H2]-17-Beta-Estradiol
Database identifiers
- CAS
53866-33-4- PubChem CID
- 40913
- DTXSID
DTXSID50968641
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 177 · 177 - 179°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,10D
- InChIKey
- VOXZDWNPVJITMN-JXCLBMSPSA-N
- SMILES
- [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4c([2H])c(O)c([2H])cc24
- UNSPSC Code
- 12352115 · 12352115
- NACRES
- 12 · NA.12
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H350-H360
- Precautionary statements
- 202 · P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- KG6814500
- risk_code
- 45-46-61-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302+H312+H332-H350-H360
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A
- Precautionary statements
- P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Applications
Uses17beta-Estradiol-2,4-d2 (CAS# 53866-33-4) is a useful isotopically labeled research compound.
Suppliers32 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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