Chemical identity

Hydrocortisone 17-Phosphate

CAS 220489-76-9 · C21H31O8P

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-16620
PubChem CID23618503
NameHydrocortisone 17-Phosphate
CAS RN220489-76-9
Molecular formulaC21H31O8P
Molecular weight442.44 g/mol
IUPAC name(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl dihydrogen phosphate
InChIKeyCGSBWABBSHTGFZ-VWUMJDOOSA-N

02Structure identifiers

2D structurePubChem CID 23618503
2D structure: Hydrocortisone 17-Phosphate, CAS 220489-76-9
Structure of Hydrocortisone 17-Phosphate (CAS 220489-76-9). LazyChem record. Source identity: PubChem CID 23618503. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H31O8P
InChIKeyCGSBWABBSHTGFZ-VWUMJDOOSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)OP(=O)(O)O)C)O
InChIInChI=1S/C21H31O8P/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(17(25)11-22,29-30(26,27)28)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres72D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 220489-76-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 220489-76-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Hydrocortisone

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources