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17a-Estradiol

CAT: 0286-E02315-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0286-E02315-01Size:25 mg
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CAS Number
57-91-0
Synonyms
3,17-a-Dihydroxy-1,3,5 (10) -estratriene; Epiestradiol; 1,3,5 (10) -Estratriene-3,17-a-diol
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Warning
MDL Number
MFCD00064144
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H351 Suspected of causing cancer.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P308+P313 IF exposed or concerned: Get medical advice/attention; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

alpha-Estradiol

17alpha-estradiol is an estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). It has a role as a geroprotector and an estrogen. It is an estradiol, a 17alpha-hydroxy steroid and a 3-hydroxy steroid.

CAS Number57-91-0
PubChem CID68570
IUPAC Name(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC18H24O2
Molecular Weight272.4
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity382
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
InChI
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
InChIKey
VOXZDWNPVJITMN-SFFUCWETSA-N
Chemical Structure
2D Structure
2D structure of alpha-Estradiol
CAS: 57-91-0
CID: 68570
Formula: C18H24O2
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.177630004
Monoisotopic Mass272.177630004
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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