Chemical identity

Hydrocortisone Impurity 47

CAS 77106-62-8 · C25H34O9

01Identity

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

Lazychem IDLC-16674
PubChem CID169447415
NameHydrocortisone Impurity 47
CAS RN77106-62-8
Molecular formulaC25H34O9
Molecular weight478.54 g/mol
IUPAC name4-oxo-4-(2-oxo-2-((6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-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)ethoxy)butanoic acid
InChIKeyYKWMMMBCPSOCPX-SHYOUXARSA-N

02Structure identifiers

2D structurePubChem CID 169447415
2D structure: Hydrocortisone Impurity 47, CAS 77106-62-8
Structure of Hydrocortisone Impurity 47 (CAS 77106-62-8). LazyChem record. Source identity: PubChem CID 169447415. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H34O9
InChIKeyYKWMMMBCPSOCPX-SHYOUXARSA-N
Ring count4
Defined stereocentres8
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O)O
InChIInChI=1S/C25H34O9/c1-23-7-5-13(26)9-16(23)17(27)10-14-15-6-8-25(33,24(15,2)11-18(28)22(14)23)19(29)12-34-21(32)4-3-20(30)31/h9,14-15,17-18,22,27-28,33H,3-8,10-12H2,1-2H3,(H,30,31)/t14-,15-,17+,18-,22+,23-,24-,25-/m0/s1

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 77106-62-8 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 77106-62-8 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

  • Hydrocortisone Impurity 33
  • (6?,?11?)?-?6,?11,?17-?Trihydroxy-21-?(3-?carboxy-?1-?oxopropoxy)-?pregn-?4-?ene-?3,?20-?dione

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