Chemical identity

17S-Naltrexone Methobromide

CAS 916045-21-1 · C21H26BrNO4

01Identity

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

Lazychem IDLC-04256
PubChem CID53395210
Name17S-Naltrexone Methobromide
CAS RN916045-21-1
Molecular formulaC21H26BrNO4
Molecular weight436.35 g/mol
IUPAC name(3S,4R,4aS,7aR,12bS)-3-(Cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide
InChIKeyIFGIYSGOEZJNBE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 53395210
Two-dimensional chemical structure of 17S-Naltrexone Methobromide, CAS 916045-21-1
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres5
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
InChINot listed
Formula from structureC21H26BrNO4
Molecular weight from structure436.35 g/mol

03Stereochemistry

The published structure contains 0 defined and 5 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres5Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 32Before 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 916045-21-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 916045-21-1 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

Naltrexone

View API and impurity family

Other names

No synonyms are listed.

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