Chemical identity

Melphalan Isopropyl Ester

CAS 104874-57-9 · C16H24Cl2N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-19677
PubChem CID21120344
NameMelphalan Isopropyl Ester
CAS RN104874-57-9
Molecular formulaC16H24Cl2N2O2
Molecular weight347.28 g/mol
IUPAC name(S)-Isopropyl 2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoate
InChIKeyUJPJAOZMRHYCGQ-HNNXBMFYSA-N

02Structure identifiers

2D structurePubChem CID 21120344
Two-dimensional chemical structure of Melphalan Isopropyl Ester, CAS 104874-57-9
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 stereocentres1
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(C)OC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N
InChINot listed
Formula from structureC16H24Cl2N2O2
Molecular weight from structure347.28 g/mol

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

2 records

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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 104874-57-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 104874-57-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Melphalan

View API and impurity family

Other names

  • 4-[Bis(2-chloroethyl)amino]-L-phenylalanine 1-Methylethyl Ester
  • 104874-57-9
  • Melphalan Isopropyl Ester
  • SCHEMBL4104422
  • isopropyl (S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources