Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H14F4N2O2 |
| Molecular Weight | 354.2989 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-][N+]1=C2NC3=C(C=C(F)C=C3)[C@](OCC4CC4)(C2=CC=C1)C(F)(F)F
InChI
InChIKey=SQMUNJMATGMRRH-MRXNPFEDSA-N
InChI=1S/C17H14F4N2O2/c18-11-5-6-14-13(8-11)16(17(19,20)21,25-9-10-3-4-10)12-2-1-7-23(24)15(12)22-14/h1-2,5-8,10,22H,3-4,9H2/t16-/m1/s1
| Molecular Formula | C17H14F4N2O2 |
| Molecular Weight | 354.2989 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 06:41:06 GMT 2023
by
admin
on
Sat Dec 16 06:41:06 GMT 2023
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| Record UNII |
A44PP2N3H5
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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335448-58-3
Created by
admin on Sat Dec 16 06:41:06 GMT 2023 , Edited by admin on Sat Dec 16 06:41:06 GMT 2023
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A44PP2N3H5
Created by
admin on Sat Dec 16 06:41:06 GMT 2023 , Edited by admin on Sat Dec 16 06:41:06 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Chemical synthesis of compound.
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ACTIVE MOIETY |
BMS-A78277 (1) is a 5,10-dihydrobenzo(beta)(1,8)naphthyridine-N-oxide compound that resides in a class of novel non-nucleoside reverse transcriptase inhibitors (NNRTIs), displaying improved activity against clinically relevant mutants of HIV-1 and possessing pharmacokinetic profiles amenable to once-daily dosing. In the course of investigating the nonclinical metabolism of 1, a circulating metabolite specific to the cynomolgus monkey was identified and subsequently characterized as the carboxyindole metabolite 2.
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