Paricalcitol Impurity 3

01Identita

Lazychem ID	LC-35854
CAS RN	Neuvedeno
PubChem CID	124389594
Molecular formula	C27H44O3
Molecular weight	416.6 g/mol
IUPAC name	trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(Z,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
InChIKey	BPKAHTKRCLCHEA-DCUJIKHJSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Paricalcitol Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H](/C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
InChI	Neuvedeno

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

5 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.

CAS not listed

BPKAHTKRCLCHEA-DCUJIKHJSA-N

Current configuration

Impurity A of Paricalcitol

CAS not listed

BPKAHTKRCLCHEA-GNUXSJEZSA-N

7 defined, 0 unassigned centres

Paricalcitol

CAS not listed

BPKAHTKRCLCHEA-UBFJEZKGSA-N

7 defined, 0 unassigned centres

Paricalcitol Impurity 2

CAS not listed

BPKAHTKRCLCHEA-AAUJZVBSSA-N

7 defined, 0 unassigned centres

Paricalcitol Impurity 8

CAS not listed

BPKAHTKRCLCHEA-DMCZTGDPSA-N

7 defined, 0 unassigned centres

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.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

Paricalcitol Impurity 3

01Identita

02Struktura a stereochemie

03Stereochemistry

Published same-connectivity configurations