Basic information
- CAS
950751-58-3- Standard SMILES
NC[C@H]1Cc2c(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc3n2C1- InChIKey
VCGDMSXJUNSZGP-CYBMUJFWSA-N- Molecular formula
- C22H20N4O2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15862589
Names & identifiers
- Preferred name
- (R)-3-(2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-(phenylamino)-1H-pyrrole-2,5-dione
- IUPAC
- 3-[(2R)-2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-4-anilinopyrrole-2,5-dione
- English name
- (R)-3-(2-(aMinoMethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-(phenylaMino)-1H-pyrrole-2,5-dione
- Molecular formula
- C22H20N4O2
- Molecular weight
- 372.4198
Names & synonyms
950751-58-3(R)-3-(2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-(phenylamino)-1H-pyrrole-2,5-dioneCHEMBL22367943-[(2R)-2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-4-anilinopyrrole-2,5-dioneDTXSID50469446(R)-3-(2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo-[1,2-a]indol-9-yl)-4-(phenylamino)-1H-pyrrole-2,5-dione908338-20-5BDBM504864053-[(2R)-2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl]-4-anilino-1H-pyrrole-2,5-dione(R)-3-(2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo-[1,2-a]indol-9-yl)-4-(phenylamino)-1H-pyrrole-2(R)-3-(2-(Aminomethyl)-2,3-dihydro-1H-pyrrolo-[1,2-a]indol-9-yl)-4-(phenylamino)-1H-pyrrole-2,5-d
Database identifiers
- CAS
950751-58-3- PubChem CID
- 11612470
- DTXSID
DTXSID50469446- ChEMBL
CHEMBL2236794- Nikkaji
- J2.494.226K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Melting point
- 283 °C · >283 °C (decomp)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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