Identita

Melphalan Isopropyl Ester

CAS 104874-57-9 · C16H24Cl2N2O2

01Identita

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

02Struktura a stereochemie

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
Ring count1
Secondary amines0
Tertiary amines1
SMILESCC(C)OC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N
InChINeuvedeno

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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Melphalan

Nečistoty a související sloučeniny

Názvy a vztahy

  • 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

Nečistoty a související sloučeniny

06Zdroje