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Chemical structure of Transtorine

GC76958

Transtorine

Also known as 4-oxo-1H-quinoline-2-carboxylic acid

Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity

ChemicalCAS13593-94-7MW189.17FormulaC10H7NO3
CAS number
13593-94-7
Molecular weight
189.17
Formula
C10H7NO3
Solubility
DMSO: 3·33 mg/mL (17·60 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HCZHHEIFKROPDY-UHFFFAOYSA-N
Catalogue number
GC76958
Brand
GLPBIO
Computed properties PubChem CID 3845 · XLogP 1.3 · TPSA 66.4 Ų · H-bond donors 2
XLogP
1.3
TPSA
66.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

SMILES C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O

Computed descriptors from PubChem (CID 3845), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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