Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H31N12O8S2.HO4S |
Molecular Weight | 764.768 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS([O-])(=O)=O.[H][C@]12SCC(C[N+]3=CC(NC(=O)NCCN)=C(N)N3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C4=NSC(N)=N4)C(O)=O
InChI
InChIKey=UJDQGRLTPBVSFN-TVNHLQOTSA-N
InChI=1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11-;/t12-,18-;/m1./s1
Molecular Formula | HO4S |
Molecular Weight | 97.071 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C23H31N12O8S2 |
Molecular Weight | 667.698 |
Charge | 1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:43:22 UTC 2023
by
admin
on
Sat Dec 16 01:43:22 UTC 2023
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Record UNII |
7R247U84HY
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Record Status |
Validated (UNII)
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Record Version |
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-
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7R247U84HY
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SUB167761
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100000158129
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XX-82
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936111-69-2
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C167044
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DBSALT001488
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CHEMBL2103872
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1597608
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m3224
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7R247U84HY
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DTXSID001027693
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |