Details
Stereochemistry | MIXED |
Molecular Formula | C12H17NO3 |
Molecular Weight | 223.2683 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(NC)C(O)C1=CC=C2OCOC2=C1
InChI
InChIKey=VTUYVPHJJVAOIE-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,12-14H,3,7H2,1-2H3
Molecular Formula | C12H17NO3 |
Molecular Weight | 223.2683 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:14:43 GMT 2023
by
admin
on
Sat Dec 16 10:14:43 GMT 2023
|
Record UNII |
R4Z4XJD7JH
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Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
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1213250-96-4
Created by
admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
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R4Z4XJD7JH
Created by
admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
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129844542
Created by
admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |
abuser A: 23[31]* (27[32]*, after hydrolysis) mcg/mL; abuser B: 19[2.0]* (17[2.0]*, after hydrolysis) mcg/mL; *diastereomer
IN-VIVO
URINE
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