Chemical identity

Apremilast N-formyl impurity / N-Desacetyl-N-formyl Apremilast

CAS 2077897-94-8 · C21H22N2O7S

01Identity

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

Lazychem IDLC-06592
PubChem CID169437564
NameApremilast N-formyl impurity / N-Desacetyl-N-formyl Apremilast
CAS RN2077897-94-8
Molecular formulaC21H22N2O7S
Molecular weight446.57 g/mol
IUPAC nameN-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-formamide
InChIKeyBACMGNDDEKLFKB-MRXNPFEDSA-N

02Structure identifiers

2D structurePubChem CID 169437564
2D structure: Apremilast N-formyl impurity / N-Desacetyl-N-formyl Apremilast, CAS 2077897-94-8
Structure of Apremilast N-formyl impurity / N-Desacetyl-N-formyl Apremilast (CAS 2077897-94-8). LazyChem record. Source identity: PubChem CID 169437564. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H22N2O7S
InChIKeyBACMGNDDEKLFKB-MRXNPFEDSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC=O)OC
InChIInChI=1S/C21H22N2O7S/c1-4-30-18-10-13(8-9-17(18)29-2)16(11-31(3,27)28)23-20(25)14-6-5-7-15(22-12-24)19(14)21(23)26/h5-10,12,16H,4,11H2,1-3H3,(H,22,24)/t16-/m1/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 2077897-94-8 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 2077897-94-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Apremilast

View API and impurity family

Other names

  • Apremilast N-formyl impurity
  • N-Desacetyl-N-formyl Apremilast
  • N-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]formamide
  • Apremilast Impurity 23
  • (S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)formamide
  • Formamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
  • Formamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]- (ACI)
  • N-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]formamide (ACI)

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