Identiteet

Bendamustine 3-Hydroxyprop-2-yl Ester

Pole loetletud · C19H27Cl2N3O3

01Identiteet

Lazychem ID	LC-39724
CAS RN	Pole loetletud
PubChem CID	58381551
Molecular formula	C19H27Cl2N3O3
Molecular weight	416.3 g/mol
IUPAC name	1-hydroxypropan-2-yl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
InChIKey	GLUFCJDGCAYLDQ-UHFFFAOYSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Bendamustine 3-Hydroxyprop-2-yl Ester — 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 stereocentres	0
Ring count	2
Secondary amines	0
Tertiary amines	1

SMILES	CC(CO)OC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCCl)CCCl
InChI	Pole 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.