Chemical identity

Dexlansoprazole Nitro Sulphoxide

CAS 853950-77-3 · C14H12N4O3S

01Identity

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

Lazychem IDLC-12606
PubChem CID46947529
NameDexlansoprazole Nitro Sulphoxide
CAS RN853950-77-3
Molecular formulaC14H12N4O3S
Molecular weight316.3 g/mol
IUPAC name(R)-2-(((3-methyl-4-nitropyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
InChIKeyPSPWSLJRXBXEMQ-JOCHJYFZSA-N

02Structure identifiers

2D structurePubChem CID 46947529
Two-dimensional chemical structure of Dexlansoprazole Nitro Sulphoxide, CAS 853950-77-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]
InChINot listed
Formula from structureC14H12N4O3S
Molecular weight from structure316.3 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 853950-77-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 853950-77-3 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

Dexlansoprazole

View API and impurity family

Other names

  • 2-((R)-((3-Methyl-4-nitro-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole
  • 853950-77-3
  • RefChem:249531
  • SCHEMBL1268162
  • (R)-2-(((3-Methyl-4-nitropyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
  • PSPWSLJRXBXEMQ-JOCHJYFZSA-N
  • DTXSID701152110
  • 2-[(R)-[(4-nitro-3-methyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
  • NS00001561
  • (R)-2-[[[3-methyl-4-nitro-2-piridyl]-methyl]sulfinyl]benzimidazole
  • 2-[(R)-(3-Methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-benzimidazole
  • (R)-(+)-2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}- 1H-benzimidazole

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