Chemical identity

Cisatracurium EP Impurity O/ cis-Monoacrylate Atracurium (Besylate Salt)

CAS 2803857-42-1 · C38H49NO11S

01Identity

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

Lazychem IDLC-10909
PubChem CID165429006
NameCisatracurium EP Impurity O/ cis-Monoacrylate Atracurium (Besylate Salt)
CAS RN2803857-42-1
Molecular formulaC38H49NO11S
Molecular weight727.86 g/mol
IUPAC name(1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-[3-[[5-(prop-2-enoyloxy)pentyl]oxy]-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolinium Benzenesulfonate
InChIKeyOROOXZDLWOYLAH-HRDILIDUSA-M

02Structure identifiers

2D structurePubChem CID 165429006
Two-dimensional chemical structure of Cisatracurium EP Impurity O/ cis-Monoacrylate Atracurium (Besylate Salt), CAS 2803857-42-1
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)C=C.C1=CC=C(C=C1)S(=O)(=O)[O-]
InChINot listed
Formula from structureC38H49NO11S
Molecular weight from structure727.86 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 2803857-42-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2803857-42-1 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

Cisatracurium/ Atracurium

View API and impurity family

Other names

  • Cisatracurium EP Impurity O (Besylate Salt)
  • cis-Monoacrylate Atracurium Besylate

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