Chemical identity

Rocuronium EP Impurity C/ Rocuronium BP Impurity C/ Rocuronium Related Compound C/ 17-Desacetyl Rocuronium Bromide

CAS 119302-86-2 · C30H51BrN2O3

01Identity

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

Lazychem IDLC-27276
PubChem CID182556
NameRocuronium EP Impurity C/ Rocuronium BP Impurity C/ Rocuronium Related Compound C/ 17-Desacetyl Rocuronium Bromide
CAS RN119302-86-2
Molecular formulaC30H51BrN2O3
Molecular weight567.64 g/mol
IUPAC name1-[3α,17β-Dihydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium bromide
InChIKeyKJLODZNGZVUFDC-DSBFZBMTSA-M

02Structure identifiers

2D structurePubChem CID 182556
Two-dimensional chemical structure of Rocuronium EP Impurity C/ Rocuronium BP Impurity C/ Rocuronium Related Compound C/ 17-Desacetyl Rocuronium Bromide, CAS 119302-86-2
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
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C.[Br-]
InChINot listed
Formula from structureC30H51BrN2O3
Molecular weight from structure567.64 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

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 119302-86-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 119302-86-2 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

View API and impurity family

Other names

  • Rocuronium EP Impurity C (Bromide Salt)
  • 17-Desacetyl Rocuronium Bromide
  • Rocuronium BP Impurity C
  • Rocuronium Related Compound C
  • Org 9943
  • 119302-86-2
  • 1UGT518V8L
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide
  • RefChem:928267
  • 17-Desacetyl Rocuronium
  • (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
  • bromide

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