Virantmycin
Basic information
- CAS
76417-04-4- Standard SMILES
COCC1(CCC(C)=C(C)C)Nc2ccc(C(=O)O)cc2CC1Cl- InChIKey
FWINDTDIQJWMLC-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO3
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1601214
Overview
Virantmycin is a member of quinolines.
Names & identifiers
- Preferred name
- Virantmycin
- IUPAC
- 3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
- English name
- virantmycin
- Molecular formula
- C19H26ClNO3
- Molecular weight
- 351.87
Names & synonyms
Virantmycin3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acidNSC-3741276-Quinolinecarboxylic acid, 3-chloro-2-(3,4-dimethyl-3-pentenyl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-72T55A5Y9YRefChem:19439076417-04-4NSC 374127SCHEMBL34469290DTXSID40997809CHEBI:202264NSC374127
Show more names
6-Quinolinecarboxylic acid, 3-chloro-2-(3,4-dimethyl-3-penten-1-yl)-1,2,3,4-tetrahydro-2-(methoxymethyl)-, (2R,3R)-
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-3-chloro-2-(3,4-dimethyl-3-pentenyl)-2-(methoxymethyl)-, (2S-trans)-3-Chloro-2-(3,4-dimethylpent-3-en-1-yl)-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Database identifiers
- CAS
76417-04-4- PubChem CID
- 100206
- DTXSID
DTXSID40997809- ChEBI
CHEBI:202264
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- FDA UNII
- 72 T55A5Y9Y · 72T55A5Y9Y
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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