Mivobulin
Basic information
- CAS
122332-18-7- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)N2- InChIKey
XXBDOTXPQDVHIP-JTQLQIEISA-N- Molecular formula
- C17H19N5O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.15387487
Overview
Mivobulin is a small molecule drug. Mivobulin has a monoisotopic molecular weight of 325.15 Da.
Names & identifiers
- Preferred name
- Mivobulin
- IUPAC
- ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
- English name
- Mivobulin
- Molecular formula
- C17H19N5O2
- Molecular weight
- 325.37
Names & synonyms
MIVOBULIN122332-18-7Mivobulin [INN]mivobulinamivobulineUNII-96U5LG549X96U5LG549XMIVOBULIN [WHO-DD]ETHYL (S)-5-AMINO-1,2-DIHYDRO-2-METHYL-3-PHENYLPYRIDO(3,4-B)PYRAZINE-7-CARBAMATECARBAMIC ACID, (5-AMINO-1,2-DIHYDRO-2-METHYL-3-PHENYLPYRIDO(3,4-B)PYRAZIN-7-YL) ETHYL ESTER, (S)-mivobulinumRefChem:159131
Show more names
NSC 613862(S)-(-)-NSC 613862CALCIUM MITIGLINIDEMivobulin ISO 9001：2015 REACHethylN-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateCarbamic acid, N-[(2S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl]-, ethyl esterEthyl N-[(9S)-5-amino-9-methyl-8-phenyl-4,7,10-triazabicyclo[4.4.0] deca-1,3,5,7-tetraen-3-yl]carbamate
ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateMivobulin free base122332-18-7 (free base)NSC 613862;(S)-(-)-NSC 613862(S)-ethyl (5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamateSCHEMBL104276orb1709122CHEMBL1233800
Database identifiers
- CAS
122332-18-7- PubChem CID
- 182763
- DTXSID
DTXSID40924135- ChEMBL
CHEMBL1233800- UNII
- 96U5LG549X
- Nikkaji
- J468.421D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Density
- 1.36 · 1.36
- FDA UNII
- 96 U5LG549X · 96U5LG549X
Chemistry & industry
Applications
UsesAntineoplastic (microtubule inhibitor).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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