Identität

Monohydroxy Melphalan (hydrochloride)

Nicht angegeben · C13H21Cl3N2O3

01Identität

Lazychem ID	LC-33305
CAS RN	Nicht angegeben
PubChem CID	163332394
Molecular formula	C13H21Cl3N2O3
Molecular weight	359.7 g/mol
IUPAC name	(2S)-2-amino-3-[4-[2-chloroethyl(2-hydroxyethyl)amino]phenyl]propanoic acid;dihydrochloride
InChIKey	UYAOCCFUQBFMKY-LTCKWSDVSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Monohydroxy Melphalan (hydrochloride) — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	1
Secondary amines	0
Tertiary amines	1

SMILES	C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCO)CCCl.Cl.Cl
InChI	Nicht angegeben

03Stereochemistry

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

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact 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.