Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H22N2O2.H3O4P |
Molecular Weight | 432.4068 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OP(O)(O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]
InChI
InChIKey=VNIVZTFZIJTNDV-ZEYGOCRCSA-N
InChI=1S/C21H22N2O2.H3O4P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h1-5,13,16-17,19-20H,6-11H2;(H3,1,2,3,4)/t13-,16-,17-,19-,20-,21+;/m0./s1
Molecular Formula | H3O4P |
Molecular Weight | 97.9952 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C21H22N2O2 |
Molecular Weight | 334.4116 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:38:45 UTC 2023
by
admin
on
Fri Dec 15 19:38:45 UTC 2023
|
Record UNII |
09703TJV4U
|
Record Status |
Validated (UNII)
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Record Version |
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-
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20841677
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SUB15416MIG
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CHEMBL227934
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1733682
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509-42-2
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09703TJV4U
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100000077871
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DTXSID30965138
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208-098-9
Created by
admin on Fri Dec 15 19:38:45 UTC 2023 , Edited by admin on Fri Dec 15 19:38:45 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |