Chemical identity

N,N'-Didescarboxymethyl Daclatasvir

CAS 1009119-18-9 · C36H46N8O2

01Identity

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

Lazychem IDLC-11811
PubChem CID169438284
NameN,N'-Didescarboxymethyl Daclatasvir
CAS RN1009119-18-9
Molecular formulaC36H46N8O2
Molecular weight622.82 g/mol
IUPAC name(2S,2'S)-1,1'-((2S,2'S)-2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(2-amino-3-methylbutan-1-one)
InChIKeyUAGSIMCUMTVTNA-ZRTHHSRSSA-N

02Structure identifiers

2D structurePubChem CID 169438284
Two-dimensional chemical structure of N,N'-Didescarboxymethyl Daclatasvir, CAS 1009119-18-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)[C@@H](C(=O)N1CCC[C@@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@H]6CCCN6C(=O)[C@H](C(C)C)N)N
InChINot listed
Formula from structureC36H46N8O2
Molecular weight from structure622.82 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 1009119-18-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1009119-18-9 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

Daclatasvir

View API and impurity family

Other names

  • Daclatasvir Impurity 11
  • N,N'-Didescarboxymethyl Daclatasvir
  • 1009119-18-9

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