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Name	Cortisol 21-phosphate	EINECS	N/A
CAS No.	3863-59-0	Density	1.42g/cm³
PSA	151.17000	LogP	1.89860
Solubility	N/A	Melting Point	N/A
Formula	C21H31 O8 P	Boiling Point	669.9°Cat760mmHg
Molecular Weight	442.446	Flash Point	358.9°C
Transport Information	N/A	Appearance	N/A
Safety	Experimental teratogenic and reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of PO_x. See also HYDROCORTISONE-21-ACETATE; HYDROCORTISONE-17-BUTYRATE; HYDROCORTISONE-17-BUTYRATE-21-PROPIONATE; HYDROCORTISONE SODIUM SUCCINATE.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Corticosterone,17-hydroxy-, 21-phosphate (6CI); Cortisol, 21-(dihydrogen phosphate) (7CI,8CI);21-Hydrocortisonephosphoric acid; Corphos; Cortisol 21-monophosphate; Cortisol21-phosphate; Cortisol phosphate; Hydrocortisone 21-(dihydrogen phosphate);Hydrocortisone 21-phosphate; Hydrocortisone dihydrogen phosphate;Hydrocortisone phosphate; NSC 529660	Article Data	5

Cortisol 21-phosphate Chemical Properties

Product Name: Cortisol 21-phosphate (CAS NO.3863-59-0)

Molecular Formula: C₂₁H₃₁O₈P
Molecular Weight: 442.439801g/mol
Mol File: 3863-59-0.mol
Einecs: 223-382-2
Boiling point: 669.9 °C at 760 mmHg
Flash Point: 358.9 °C
Density: 1.42 g/cm³
Surface Tension: 67.2 dyne/cm
Enthalpy of Vaporization: 112.65 kJ/mol
Vapour Pressure: 8.28E-21 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 4
H-Bond Acceptor: 8
Structure Descriptors of Cortisol 21-phosphate (CAS NO.3863-59-0):
IUPAC Name: [2-[(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] dihydrogenphosphate
Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)(O)O)O)C)O
Isomeric SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CC[C@@]4(C(=O)COP(=O)(O)O)O)C)O
InChI: InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14?,15?,16?,18?,19?,20?,21-/m0/s1
InChIKey: BGSOJVFOEQLVMH-OXPLYMOZSA-N

Cortisol 21-phosphate Toxicity Data With Reference

1.		ivn-rbt TDLo:900 mg/kg (female 8-16D post):TER		TJADAB Teratology, A Journal of Abnormal Development. 12 (1975),195.
2.		ivn-rbt TDLo:1800 mg/kg (8-16D preg):REP		TJADAB Teratology, A Journal of Abnormal Development. 12 (1972),195.

Cortisol 21-phosphate Safety Profile

Experimental teratogenic and reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of PO_x. See also HYDROCORTISONE-21-ACETATE; HYDROCORTISONE-17-BUTYRATE; HYDROCORTISONE-17-BUTYRATE-21-PROPIONATE; HYDROCORTISONE SODIUM SUCCINATE.

Cortisol 21-phosphate Specification

Cortisol 21-phosphate , its CAS NO. is 3863-59-0, the synonyms are Hydrocortisone cortisol 21-(dihydrogen phosphate) ; 21-Hydrocortisonephosphoric acid ; Corphos ; Cortisol phosphate ; EINECS 223-382-2 ; Hydrocortisone 21-(dihydrogen phosphate) ; Hydrocortisone 21-phosphate ; Hydrocortisone phosphate ; NSC 529660 ; UNII-2Y87E22X71 ; 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(dihydrogen phosphate) ; Cortisol, 21-(dihydrogen phosphate) ; Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, (11-beta)- (9CI) .

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