Chemical identity

16α-Hydroxycortisol Impurity

CAS 1171-81-9 · C21H30O6

01Identity

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

Lazychem IDLC-04220
PubChem CID102003
Name16α-Hydroxycortisol Impurity
CAS RN1171-81-9
Molecular formulaC21H30O6
Molecular weight378.47 g/mol
IUPAC name16α,17-Dihydroxy-corticosterone;11β,16α,17,21-Tetrahydroxy-pregn-4-ene-3,20-dione; 11β,16α,17,21-Tetrahydroxypregn-4-ene-3,20-dione
InChIKeySQPRYYSTJMNHSK-ILNISADRSA-N

02Structure identifiers

2D structurePubChem CID 102003
Two-dimensional chemical structure of 16α-Hydroxycortisol Impurity, CAS 1171-81-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@H]([C@@]4(C(=O)CO)O)O)C)O
InChINot listed
Formula from structureC21H30O6
Molecular weight from structure378.47 g/mol

03Stereochemistry

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

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 1171-81-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1171-81-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Budesonide

View API and impurity family

Other names

  • 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione
  • 1171-81-9
  • (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
  • EINECS 214-627-4
  • SCHEMBL141635
  • DTXSID90922287
  • SQPRYYSTJMNHSK-ILNISADRSA-N
  • FH165346
  • NS00044751
  • H81072
  • F571466

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