Chemical identity

4-Nitrothalidomide

CAS 19171-18-7 · C13H9N3O6

01Identity

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

Lazychem IDLC-25643
PubChem CID134775
Name4-Nitrothalidomide
CAS RN19171-18-7
Molecular formulaC13H9N3O6
Molecular weight303.23 g/mol
IUPAC name2-(2,6-Dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
InChIKeyKVRCAGKHAZRSQX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 134775
2D structure: 4-Nitrothalidomide, CAS 19171-18-7
Structure of 4-Nitrothalidomide (CAS 19171-18-7). LazyChem record. Source identity: PubChem CID 134775. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H9N3O6
InChIKeyKVRCAGKHAZRSQX-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESC1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
InChIInChI=1S/C13H9N3O6/c17-9-5-4-8(11(18)14-9)15-12(19)6-2-1-3-7(16(21)22)10(6)13(15)20/h1-3,8H,4-5H2,(H,14,17,18)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact 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 19171-18-7 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 19171-18-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Pomalidomide

View API and impurity family

Other names

  • Pomalidomide Impurity 5
  • 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-nitro-
  • 2-(2,6-Dioxo-3-piperidinyl)-4-nitro-1H-isoindole-1,3(2H)-dione
  • 2-(2,6-DIOXOPIPERIDIN-3-YL)-4-NITRO-ISOINDOLE-1,3-DIONE
  • 2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
  • 3-Nitrothalidomide
  • Phthalimide, N-(2,6-dioxo-3-piperidyl)-3-nitro-

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