D,L-Sarcolysin

HCID 9571

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 342-95-0
Standard SMILES: NC(Cc1ccccc1N(CCCl)CCCl)C(=O)O
InChIKey: ZJHNCWIVJDCKSB-UHFFFAOYSA-N
Molecular formula: C13H18Cl2N2O2
Average molar mass: 305.2 g/mol
Monoisotopic mass: 304.07453318

Overview

See also: Melphalan (related); O-D,L-Sarcolysin (annotation moved to).

Names & identifiers

Preferred name: D,L-Sarcolysin
IUPAC: 2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Names & synonyms

o-Merphalan2-[bis(2-chloroethyl)amino]phenylalanine2-(bis(2-Chloroethyl)amino)phenylalanineD,L-SarcolysinRefChem:581482NCI-C04944Merophano-DL-Sarcolysino-Phenylalanine mustard(+-)-O-Phenylalanine mustard342-95-0FDA 0109

Show more names

3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanineNSC-57199CB 1729DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)-DL-Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-o-SarcolysinOrtho-phenylalanine mustardDL-Phenylalanine, 2-[bis(2-chloroethyl)amino]-

Database identifiers

CAS: 342-95-0
PubChem CID: 9571
DTXSID: DTXSID801273943
ChEMBL: CHEMBL3247486、CHEMBL502313

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 273

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…