Identiteet

Bromhexine EP Impurity E

CAS 1661064-00-1 · C15H21Br2N2

01Identiteet

Lazychem IDLC-08794
CAS RN1661064-00-1
PubChem CID71315081
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

02Struktuur ja stereokeemia

2D structurePubChem CID 71315081
Two-dimensional chemical structure of Bromhexine EP Impurity E, CAS 1661064-00-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines1
Tertiary amines0
SMILESC[N+]1(CC2=C(C(=CC(=C2)Br)Br)NC1)C3CCCCC3
InChIPole loetletud

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
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.

04Staatus Indias

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimed ja seosed

API ja lähteravim

Bromhexine

Lisandid ja seotud ühendid

Nimed ja seosed

  • 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
  • 1661064-00-1
  • SCHEMBL364925
  • H60056

Lisandid ja seotud ühendid

06Allikad