Lymphosarcin
Basic information
- CAS
52128-43-5- Standard SMILES
Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1- InChIKey
KBKJXVMKCWBZLB-UHFFFAOYSA-N- Molecular formula
- C15H12Cl3N5
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 367.015828
Overview
polyene antibiotic active against exp tumors
Names & identifiers
- Preferred name
- Lymphosarcin
- IUPAC
- 5-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
- English name
- 2,4-Diamino-5-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline
- Molecular formula
- C15H12Cl3N5
- Molecular weight
- 368.65
Names & synonyms
LYMPHOSARCINDTXSID1020805559318-71-7NSC 208642RefChem:925072DTXCID3013054652128-43-5J5KX9DC6DMUNII-J5KX9DC6DMNSC-2086525-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamineNSC 208652
Show more names
5-Chloro-6-[(3,4-dichlorophenylamino)methyl]quinazoline-2,4-diamine5-Chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-2,4-quinozolinediamine2,4-Quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-
PD 075197PD-075197CHEMBL172345SCHEMBL11141619SCHEMBL297037902,4-Diamino-5-chloro-6-[(3,4-dichloroanilino)methyl]quinazolineNSC208652NCI60_001742
Database identifiers
- CAS
52128-43-5、59318-71-7- PubChem CID
- 308111
- DTXSID
DTXSID10208055- ChEMBL
CHEMBL172345- UNII
- J5KX9DC6DM
- Nikkaji
- J373.786A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 669.7 · 669.7±65.0 °C(Predicted)
- Density
- 1.598 · 1.598±0.06 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.26(Predicted)
- FDA UNII
- 5 KX9DC6DM · J5KX9DC6DM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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