Chemical identity

Ranitidine EP Impurity I/ Ranitidine BP Impurity I/ Ranitidine formaldehyde adduct

CAS 207592-21-0 · C27H44N8O6S2

01Identity

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

Lazychem IDLC-26734
PubChem CID71750316
NameRanitidine EP Impurity I/ Ranitidine BP Impurity I/ Ranitidine formaldehyde adduct
CAS RN207592-21-0
Molecular formulaC27H44N8O6S2
Molecular weight640.82 g/mol
IUPAC name2,2′-Methylenebis[N-[2-[[[5-[(dimethylamino)methyl]-furan-2-yl]methyl] sulfanyl]ethyl]-N′-methyl-2-nitroethene-1,1-diamine]
InChIKeyDHFGZFWSNTVORH-OWUYFMIJSA-N

02Structure identifiers

2D structurePubChem CID 71750316
Two-dimensional chemical structure of Ranitidine EP Impurity I/ Ranitidine BP Impurity I/ Ranitidine formaldehyde adduct, CAS 207592-21-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines4
Tertiary amines2
N-methyl amine sites4
SMILESCN/C(=C(\[N+](=O)[O-])/C/C(=C(\NCCSCC1=CC=C(O1)CN(C)C)/NC)/[N+](=O)[O-])/NCCSCC2=CC=C(O2)CN(C)C
InChINot listed
Formula from structureC27H44N8O6S2
Molecular weight from structure640.82 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site3 candidates
Chemical structure of Ranitidine EP Impurity I/ Ranitidine BP Impurity I/ Ranitidine formaldehyde adduct with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Ranitidine EP Impurity I/ Ranitidine BP Impurity I/ Ranitidine formaldehyde adduct, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C27H43N9O7S2
Candidate SMILES
CN/C(NCCSCc1ccc(CN(C)C)o1)=C(/C/C(=C(\NCCSCc1ccc(CN(C)C)o1)N(C)N=O)[N+](=O)[O-])[N+](=O)[O-]
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C27H43N9O7S2
Candidate SMILES
CN/C(NCCSCc1ccc(CN(C)C)o1)=C(/C/C(=C(/NC)N(CCSCc1ccc(CN(C)C)o1)N=O)[N+](=O)[O-])[N+](=O)[O-]
Candidate 3Possible N-nitroso structural candidate
Calculated formula
C26H41N9O7S2
Candidate SMILES
CN/C(NCCSCc1ccc(CN(C)C)o1)=C(/C/C(=C(/NC)NCCSCc1ccc(CN(C)N=O)o1)[N+](=O)[O-])[N+](=O)[O-]

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 207592-21-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 207592-21-0 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

Ranitidine

View API and impurity family

Other names

  • Ranitidine EP impurity I
  • 2,2'-Methylene Bis[Ranitidine]
  • Ranitidine BP Impurity I
  • Ranitidine formaldehyde adduct

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