Chemical identity

Cisatracurium EP Impurity H (DiBesylate Salt)

CAS 96946-44-0 · C65H82N2O18S2

01Identity

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

Lazychem IDLC-10900
PubChem CID73416107
NameCisatracurium EP Impurity H (DiBesylate Salt)
CAS RN96946-44-0
Molecular formulaC65H82N2O18S2
Molecular weight1243.48 g/mol
IUPAC name(1R,1'R,2R,2'S)-2,2′-[Pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]]bis[1-[(3,4-dimethoxyphenyl)-methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] Dibenzenesulfonate
InChIKeyXXZSQOVSEBAPGS-VTMDYJILSA-L

02Structure identifiers

2D structurePubChem CID 73416107
Two-dimensional chemical structure of Cisatracurium EP Impurity H (DiBesylate Salt), CAS 96946-44-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 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 count8
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)CC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
InChINot listed
Formula from structureC65H82N2O18S2
Molecular weight from structure1243.48 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

3 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 96946-44-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 96946-44-0 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

View API and impurity family

Other names

  • Rac-(1R,2R,1'R,2'S)-2,2'-(pentane-1,5-diylbis(oxy(3-oxopropane-3,1-diyl)))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium) bisbenzenesulfonate
  • 96946-44-0
  • (1R,2R,1'R,2'S)-Atracurium Besylate
  • A6Z8NA5C67
  • 1599467-97-6
  • Atracurium besylate, (1R,2R,1'R,2'S)-(+/-)-
  • (1R,1'R,2R,2'S)-2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate
  • Atracurium Impurity 53
  • (1R,2R,1'R,2'S)-Atracurium Besylate, >90%
  • Cisatracurium EP Impurity H
  • UNII-A6Z8NA5C67
  • starbld0039382

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