Chemical identity

Mln0905

CAS not listed · C24H25F3N6S

01Identity

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

Lazychem IDLC-60179
PubChem CID46235922
NameMln0905
CAS RNNot listed
Molecular formulaC24H25F3N6S
Molecular weight486.6 g/mol
IUPAC name2-[[5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
InChIKeyCODBZFJPKJDNDT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 46235922
Two-dimensional chemical structure of Mln0905
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines2
Tertiary amines1
N-methyl amine sites2
SMILESCC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F
InChINot listed
Formula from structureC24H25F3N6S
Molecular weight from structure486.6 g/mol

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of Mln0905 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 Mln0905, 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
C24H24F3N7OS
Candidate SMILES
Cc1ncc(CCCN(C)C)cc1N(N=O)c1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=S)C2
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C23H22F3N7OS
Candidate SMILES
Cc1ncc(CCCN(C)N=O)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=S)C2

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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

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