Chemical identity

N-Desmethyl Trimethobenzamide

CAS 1445977-42-3 · C20H26N2O5

01Identity

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

Lazychem IDLC-21232
PubChem CID171114866
NameN-Desmethyl Trimethobenzamide
CAS RN1445977-42-3
Molecular formulaC20H26N2O5
Molecular weight374.4 g/mol
IUPAC name3,4,5-Trimethoxy-N-(4-(2-(methylamino)ethoxy)benzyl)benzamide
InChIKeyVCGIBCIRVCMNCS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 171114866
2D structure: N-Desmethyl Trimethobenzamide, CAS 1445977-42-3
Structure of N-Desmethyl Trimethobenzamide (CAS 1445977-42-3). LazyChem record. Source identity: PubChem CID 171114866. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H26N2O5
InChIKeyVCGIBCIRVCMNCS-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=C(NCC1=CC=C(OCCNC)C=C1)C2=CC(OC)=C(OC)C(OC)=C2
InChIInChI=1S/C20H26N2O5/c1-21-9-10-27-16-7-5-14(6-8-16)13-22-20(23)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,22,23)

03Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to N-Desmethyl Trimethobenzamide, CAS 1445977-42-3
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 1445977-42-3 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 1445977-42-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Trimethobenzamide

View API and impurity family

Other names

No synonyms are listed.

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