Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H41N7O12.3C7H7NO3 |
| Molecular Weight | 1042.9961 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=CC(O)=C(C=C1)C(O)=O.NC2=CC(O)=C(C=C2)C(O)=O.NC3=CC(O)=C(C=C3)C(O)=O.[H][C@@]6(O[C@H]4[C@H](O[C@@]5([H])[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]5NC(N)=N)O[C@@H](C)[C@]4(O)CO)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6NC
InChI
InChIKey=DNLLNJSYYNNFBC-CZDSEFAFSA-N
InChI=1S/C21H41N7O12.3C7H7NO3/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*8-4-1-2-5(7(10)11)6(9)3-4/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*1-3,9H,8H2,(H,10,11)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m0.../s1
| Molecular Formula | C21H41N7O12 |
| Molecular Weight | 583.5899 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| 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
Fri Dec 15 17:55:29 UTC 2023
by
admin
on
Fri Dec 15 17:55:29 UTC 2023
|
| Record UNII |
91KBU41W77
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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165083
Created by
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3144-30-7
Created by
admin on Fri Dec 15 17:55:29 UTC 2023 , Edited by admin on Fri Dec 15 17:55:29 UTC 2023
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91KBU41W77
Created by
admin on Fri Dec 15 17:55:29 UTC 2023 , Edited by admin on Fri Dec 15 17:55:29 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |