Abstract
Biodegradation of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane is thought to occur by oxidative O dealkylation and dechlorination. In an attempt to understand their known metabolic behavior, the authors calculated the conformational and electronic properties of the three compounds and proposed intermediate metabolites using two semiempirical molecular orbital methods, iterative extended Huckel theory and perturbative configuration interaction using localized orbitals. The conformational similarities obtained for the three compounds pointed to electronic properties as the main factors involved, and using these they were able to establish criteria which could account for their known relative extent of metabolism and the formation of a number of identified intermediates.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 406-418 |
| Number of pages | 13 |
| Journal | Molecular Pharmacology |
| Volume | 10 |
| Issue number | 3 |
| State | Published - 1974 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Pharmacology
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Quantum chemical studies of the metabolism of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane. / Loew, G.; Motulsky, H.; Trudell, J.; Cohen, E.; Hjelmeland, Leonard M.
In: Molecular Pharmacology, Vol. 10, No. 3, 1974, p. 406-418.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Quantum chemical studies of the metabolism of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane
AU - Loew, G.
AU - Motulsky, H.
AU - Trudell, J.
AU - Cohen, E.
AU - Hjelmeland, Leonard M
PY - 1974
Y1 - 1974
N2 - Biodegradation of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane is thought to occur by oxidative O dealkylation and dechlorination. In an attempt to understand their known metabolic behavior, the authors calculated the conformational and electronic properties of the three compounds and proposed intermediate metabolites using two semiempirical molecular orbital methods, iterative extended Huckel theory and perturbative configuration interaction using localized orbitals. The conformational similarities obtained for the three compounds pointed to electronic properties as the main factors involved, and using these they were able to establish criteria which could account for their known relative extent of metabolism and the formation of a number of identified intermediates.
AB - Biodegradation of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane is thought to occur by oxidative O dealkylation and dechlorination. In an attempt to understand their known metabolic behavior, the authors calculated the conformational and electronic properties of the three compounds and proposed intermediate metabolites using two semiempirical molecular orbital methods, iterative extended Huckel theory and perturbative configuration interaction using localized orbitals. The conformational similarities obtained for the three compounds pointed to electronic properties as the main factors involved, and using these they were able to establish criteria which could account for their known relative extent of metabolism and the formation of a number of identified intermediates.
UR - http://www.scopus.com/inward/record.url?scp=0016200326&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0016200326&partnerID=8YFLogxK
M3 - Article
C2 - 4153031
AN - SCOPUS:0016200326
VL - 10
SP - 406
EP - 418
JO - Molecular Pharmacology
JF - Molecular Pharmacology
SN - 0026-895X
IS - 3
ER -