Chemical identity

Bromhexine EP Impurity E

CAS 1661064-00-1 · C15H21Br2N2

01Identity

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

Lazychem IDLC-08794
PubChem CID71315081
NameBromhexine EP Impurity E
CAS RN1661064-00-1
Molecular formulaC15H21Br2N2
Molecular weight389.15 g/mol
IUPAC name(3RS)-6,8-Dibromo-3-cyclohexyl-3-methyl-1,2,3,4-tetrahydroquinazolin-3-ium
InChIKeyQYVYSMCPKGWMCN-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71315081
2D structure: Bromhexine EP Impurity E, CAS 1661064-00-1
Structure of Bromhexine EP Impurity E (CAS 1661064-00-1). LazyChem record. Source identity: PubChem CID 71315081. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H21Br2N2
InChIKeyQYVYSMCPKGWMCN-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESC[N+]1(CC2=C(C(=CC(=C2)Br)Br)NC1)C3CCCCC3
InChIInChI=1S/C15H21Br2N2/c1-19(13-5-3-2-4-6-13)9-11-7-12(16)8-14(17)15(11)18-10-19/h7-8,13,18H,2-6,9-10H2,1H3/q+1

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Bromhexine EP Impurity E, CAS 1661064-00-1
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1661064-00-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1661064-00-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Bromhexine

View API and impurity family

Other names

  • 6, ?8-Dibromo-?3-?cyclohexyl-?1, ?2, ?3, ?4-?tetrahydro-?3-?methylquinazolinium Chloride
  • Bromhexine EP Impurity E Chloride
  • 6,8-Dibromo-3-cyclohexyl-3-methyl-1,2,3,4-tetrahydroquinazolin-3-ium
  • H60056

Related records from the same parent family

07Documented 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.

08Sources