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Hydrocortisone acetate

CAT: 0286-H08690-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-H08690-02Size:5 g
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CAS Number
50-03-3
Synonyms
Hydrocortisone 21-acetate; 11ß,17a,21-Trihydroxy-4-pregnene-3,20-dione 21-acetate; 17-a-Hydroxycorticosterone acetate; 17-Hydroxycorticosterone 21-acetate; 21-Acetoxy-4-pregnene-11ß,17a-diol-3,20-dione; 4-Pregnene-11ß,17a,21-triol-3,20-dione 21-acetate
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Warning
MDL Number
MFCD00037714
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; H361 Suspected of damaging fertility or the unborn child.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; 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

Hydrocortisone Acetate

Cortisol 21-acetate is a tertiary alpha-hydroxy ketone and a cortisol ester.

CAS Number50-03-3
PubChem CID5744
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H32O6
Molecular Weight404.5
XLogP2.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity786
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChI
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey
ALEXXDVDDISNDU-JZYPGELDSA-N
Chemical Structure
2D Structure
2D structure of Hydrocortisone Acetate
CAS: 50-03-3
CID: 5744
Formula: C23H32O6
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass404.21988874
Monoisotopic Mass404.21988874
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-B1183-01Hydrocortisone acetate
TRC-H714695-50MGHydrocortisone 17-Acetate
sc-205715Hydrocortisone 21-acetate

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