Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H41N7O12.3C9H9N3O3 |
Molecular Weight | 1205.1481 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 3 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=NNC(=O)C1=CC=NC=C1)C(O)=O.CC(=NNC(=O)C2=CC=NC=C2)C(O)=O.CC(=NNC(=O)C3=CC=NC=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=SFVAGVWNUYQXSE-NVBVGGSNSA-N
InChI=1S/C21H41N7O12.3C9H9N3O3/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*1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*2-5H,1H3,(H,12,13)(H,14,15)/b;3*11-6+/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m0.../s1
Approval Year
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Code System | Code | Type | Description | ||
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92135898
Created by
admin on Sat Dec 16 08:02:50 GMT 2023 , Edited by admin on Sat Dec 16 08:02:50 GMT 2023
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PRIMARY | |||
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BTE6R9X80T
Created by
admin on Sat Dec 16 08:02:50 GMT 2023 , Edited by admin on Sat Dec 16 08:02:50 GMT 2023
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PRIMARY | |||
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1401-47-4
Created by
admin on Sat Dec 16 08:02:50 GMT 2023 , Edited by admin on Sat Dec 16 08:02:50 GMT 2023
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PRIMARY |
ACTIVE MOIETY
ACTIVE MOIETY
SUBSTANCE RECORD