METHYLPREDNISOLONE DIHYDROGEN PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31O8P
Molecular Weight	454.4505
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLPREDNISOLONE DIHYDROGEN PHOSPHATE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@]([H])(C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=PWTIEVRZANUUHG-PJHHCJLFSA-N

InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H31O8P
Molecular Weight	454.4505
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:08:41 UTC 2023` Edited by `admin` on `Fri Dec 15 18:08:41 UTC 2023`
Record UNII	1D9M23IY4Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLPREDNISOLONE DIHYDROGEN PHOSPHATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-6-METHYL-21-(PHOSPHONOOXY)-, (6.ALPHA.,11.BETA.)-

Systematic Name

English

METHYLPREDNISOLONE 21-PHOSPHATE

Common Name

English

METHYLPREDNISOLONE 21-(DIHYDROGEN PHOSPHATE)

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-6.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

244-869-6