Identität

gamma-Hydroxy bendamustine

CAS 1138238-08-0 · C16H21Cl2N3O3

01Identität

Lazychem IDLC-07821
CAS RN1138238-08-0
PubChem CID50943747
Molecular formulaC16H21Cl2N3O3
Molecular weight374.26 g/mol
IUPAC name4-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-4-hydroxybutanoic acid
InChIKeyGPYWLSZJZNELNN-UHFFFAOYSA-N

02Struktur und Stereochemie

2D structurePubChem CID 50943747
Two-dimensional chemical structure of gamma-Hydroxy bendamustine, CAS 1138238-08-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines1
SMILESCN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1C(CCC(=O)O)O
InChINicht angegeben

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.

04Status in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Bendamustine

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • Bendamustine Impurity 7
  • gamma-Hydroxy bendamustine
  • Bendamustine (m3)
  • 1138238-08-0
  • UNII-D5NNC1X8FP
  • D5NNC1X8FP
  • 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-gamma-hydroxy-1-methyl-
  • RefChem:201038
  • 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-4-hydroxybutanoic acid
  • SCHEMBL22309137
  • Q27276129
  • 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1h-benzimidazol-2-yl}-4-hydroxy-butanoic acid

Verunreinigungen und verwandte Verbindungen

06Quellen