Chemical identity

Calcipotriol EP Impurity D / 24-Epi-calcipotriol

CAS 112827-99-3 · C27H40O3

01Identity

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

Lazychem IDLC-09156
PubChem CID9547353
NameCalcipotriol EP Impurity D / 24-Epi-calcipotriol
CAS RN112827-99-3
Molecular formulaC27H40O3
Molecular weight412.61 g/mol
IUPAC name(5Z,7E,22E,24R)-24-cyclopropyl-9,10-secochola- 5,7,10(19),22-tetraene-1α,3β,24-triol
InChIKeyLWQQLNNNIPYSNX-CIJZWTHJSA-N

02Structure identifiers

2D structurePubChem CID 9547353
Two-dimensional chemical structure of Calcipotriol EP Impurity D / 24-Epi-calcipotriol, CAS 112827-99-3
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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](/C=C/[C@@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChINot listed
Formula from structureC27H40O3
Molecular weight from structure412.61 g/mol

03Stereochemistry

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

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

7 records

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.

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 112827-99-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 112827-99-3 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

Calcipotriol

View API and impurity family

Other names

  • Calcipotriol EP Impurity D
  • 24-Epi-calcipotriol
  • Calcipotriol, 24R-
  • 24R-Calcipotriol
  • 112827-99-3
  • 24R-Calcipotriene
  • PRI 2202
  • TYF37XV46I
  • Calcipotriol, anhydrous impurity D [EP]
  • Calcipotriol, anhydrous specified impurity D [EP]
  • 1,3-Cyclohexanediol, 5-((2E)-2-((1R,3aS,7aR)-1-((1R,2E,4R)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3S,5Z)-
  • CALCIPOTRIOL IMPURITY D [EP IMPURITY]

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