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Estriol

CAT: 0286-E02390-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-E02390-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-27-1
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00003691
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H351 Suspected of causing cancer; H360 May damage fertility or the unborn child.
DOT Name
Not D.O.T.-Regulated
Precautions
P201 Obtain special instructions before use; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P281 Use personal protective equipment as required; 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

Estriol

Estriol is a 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). It has a role as an estrogen, a mouse metabolite, a human xenobiotic metabolite and a human metabolite. It is a 16alpha-hydroxy steroid, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.

CAS Number50-27-1
PubChem CID5756
IUPAC Name(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 FormulaC18H24O3
Molecular Weight288.4
XLogP2.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity411
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
InChI
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
InChIKey
PROQIPRRNZUXQM-ZXXIGWHRSA-N
Chemical Structure
2D Structure
2D structure of Estriol
CAS: 50-27-1
CID: 5756
Formula: C18H24O3
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass288.17254462
Monoisotopic Mass288.17254462
Topological Polar Surface Area60.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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