Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H21NO3.C6H3N3O7 |
| Molecular Weight | 516.4575 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.[H][C@@]23OC4=C5C(C[C@@]6([H])N(C)CC[C@@]25[C@@]6([H])CC[C@@H]3O)=CC=C4O
InChI
InChIKey=RIEAKNQPZCQWTP-VYKNHSEDSA-N
InChI=1S/C17H21NO3.C6H3N3O7/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3;1-2,10H/t10-,11+,13-,16-,17-;/m0./s1
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.3535 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H3N3O7 |
| Molecular Weight | 229.1039 |
| 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
Sat Dec 16 10:15:08 UTC 2023
by
admin
on
Sat Dec 16 10:15:08 UTC 2023
|
| Record UNII |
S6V722J7YS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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126961346
Created by
admin on Sat Dec 16 10:15:08 UTC 2023 , Edited by admin on Sat Dec 16 10:15:08 UTC 2023
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5988-18-1
Created by
admin on Sat Dec 16 10:15:08 UTC 2023 , Edited by admin on Sat Dec 16 10:15:08 UTC 2023
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S6V722J7YS
Created by
admin on Sat Dec 16 10:15:08 UTC 2023 , Edited by admin on Sat Dec 16 10:15:08 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
