Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H13N5O9S2.2C5H14NO |
| Molecular Weight | 643.731 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[N+](C)(C)CCO.C[N+](C)(C)CCO.CC1(C)[C@H](NC(=O)C(=N/OCC([O-])=O)\C2=CSC(N)=N2)C(=O)N1OS([O-])(=O)=O
InChI
InChIKey=FRVWKWRHJIDCFO-ZJFJOYJNSA-L
InChI=1S/C12H15N5O9S2.2C5H14NO/c1-12(2)8(10(21)17(12)26-28(22,23)24)15-9(20)7(16-25-3-6(18)19)5-4-27-11(13)14-5;2*1-6(2,3)4-5-7/h4,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)(H,22,23,24);2*7H,4-5H2,1-3H3/q;2*+1/p-2/b16-7-;;/t8-;;/m1../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C260
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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| Code System | Code | Type | Description | ||
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Y-68
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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m967
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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PRIMARY | Merck Index | ||
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14253084
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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102916-21-2
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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PRIMARY | |||
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C152620
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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648358RH17
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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PRIMARY | |||
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C052020
Created by
admin on Fri Dec 15 17:48:07 UTC 2023 , Edited by admin on Fri Dec 15 17:48:07 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD