Chemical identity

N-Nitroso Avanafil

CAS 3050754-67-8 · C23H25ClN8O4

01Identity

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

Lazychem IDLC-07190
PubChem CID172866423
NameN-Nitroso Avanafil
CAS RN3050754-67-8
Molecular formulaC23H25ClN8O4
Molecular weight513.0 g/mol
IUPAC name(S)-4-((3-Chloro-4-methoxybenzyl)(nitroso)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
InChIKeyPDVBPTRNSBYEIA-INIZCTEOSA-N

02Structure identifiers

2D structurePubChem CID 172866423
Two-dimensional chemical structure of N-Nitroso Avanafil, CAS 3050754-67-8
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, has 1 defined stereocentre, contains at least one halogen atom, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESCOC1=C(C=C(C=C1)CN(C2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)N=O)Cl
InChINot listed
Formula from structureC23H25ClN8O4
Molecular weight from structure513.0 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

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 / RCSNO EXACT MATCH FOUNDCAS 3050754-67-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 3050754-67-8 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

Avanafil

View API and impurity family

Other names

  • Avanafil Nitroso Impurity 1 /N-Nitroso Avanafil
  • N-Nitroso Avanafil
  • Avanafil Nitroso Impurity 1

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