Chemical identity

Rocuronium Bromide EP Impurity E/ Rocuronium BP Impurity E/ Rocuronium Related Compound E/ 2-Pyrrolidinyl Desmorpholinyl Rocuronium Bromide

CAS 1190105-65-7 · C32H53BrN2O3

01Identity

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

Lazychem IDLC-27269
PubChem CID129627372
NameRocuronium Bromide EP Impurity E/ Rocuronium BP Impurity E/ Rocuronium Related Compound E/ 2-Pyrrolidinyl Desmorpholinyl Rocuronium Bromide
CAS RN1190105-65-7
Molecular formulaC32H53BrN2O3
Molecular weight593.68 g/mol
IUPAC name1-[17β-(Acetyloxy)-3α-hydroxy-2β-(pyrrolidin-1-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium bromide
InChIKeyWXZVCMSZGNGDKJ-GYFLCYNPSA-M

02Structure identifiers

2D structurePubChem CID 129627372
Two-dimensional chemical structure of Rocuronium Bromide EP Impurity E/ Rocuronium BP Impurity E/ Rocuronium Related Compound E/ 2-Pyrrolidinyl Desmorpholinyl Rocuronium Bromide, CAS 1190105-65-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aliphatic carbon, has 10 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(=O)O[C@H]1[C@H](C[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC[C@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
InChINot listed
Formula from structureC32H53BrN2O3
Molecular weight from structure593.68 g/mol

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 1190105-65-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1190105-65-7 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

Rocuronium Bromide

View API and impurity family

Other names

  • Rocuronium Bromide EP Impurity E
  • 2-Pyrrolidinyl Desmorpholinyl Rocuronium Bromide
  • [(2S,3S,5R,8R,9R,10S,13S,14R,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
  • bromide
  • Rocuronium BP Impurity E
  • Rocuronium Related Compound E

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