Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O2.HO2P |
| Molecular Weight | 398.3921 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OP=O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C7=C6C=CC=C7
InChI
InChIKey=ROTLOPKJKBALOF-ZEYGOCRCSA-N
InChI=1S/C21H22N2O2.HO2P/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;1-3-2/h1-5,13,16-17,19-20H,6-11H2;(H,1,2)/t13-,16-,17-,19-,20-,21+;/m0./s1
| Molecular Formula | C21H22N2O2 |
| Molecular Weight | 334.4116 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | HO2P |
| Molecular Weight | 63.9805 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:46:16 GMT 2025
by
admin
on
Mon Mar 31 17:46:16 GMT 2025
|
| Record UNII |
I900Q82977
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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I900Q82977
Created by
admin on Mon Mar 31 17:46:16 GMT 2025 , Edited by admin on Mon Mar 31 17:46:16 GMT 2025
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122362254
Created by
admin on Mon Mar 31 17:46:16 GMT 2025 , Edited by admin on Mon Mar 31 17:46:16 GMT 2025
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10103-26-1
Created by
admin on Mon Mar 31 17:46:16 GMT 2025 , Edited by admin on Mon Mar 31 17:46:16 GMT 2025
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DTXSID60143689
Created by
admin on Mon Mar 31 17:46:16 GMT 2025 , Edited by admin on Mon Mar 31 17:46:16 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |