Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 3C30H35ClN7O10S2.4C7H7O3S.O4S.3H |
| Molecular Weight | 3043.53 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[H+].[O-]S([O-])(=O)=O.CC1=CC=C(C=C1)S([O-])(=O)=O.CC2=CC=C(C=C2)S([O-])(=O)=O.CC3=CC=C(C=C3)S([O-])(=O)=O.CC4=CC=C(C=C4)S([O-])(=O)=O.[H][C@]56SCC(C[N+]8(CCNC(=O)C7=C(Cl)C(O)=C(O)C=C7)CCCC8)=C(N5C(=O)[C@H]6NC(=O)C(=N/OC(C)(C)C(O)=O)\C9=CSC(N)=N9)C(O)=O.[H][C@]%10%11SCC(C[N+]%13(CCNC(=O)C%12=C(Cl)C(O)=C(O)C=C%12)CCCC%13)=C(N%10C(=O)[C@H]%11NC(=O)C(=N/OC(C)(C)C(O)=O)\C%14=CSC(N)=N%14)C(O)=O.[H][C@]%15%16SCC(C[N+]%18(CCNC(=O)C%17=C(Cl)C(O)=C(O)C=C%17)CCCC%18)=C(N%15C(=O)[C@H]%16NC(=O)C(=N/OC(C)(C)C(O)=O)\C%19=CSC(N)=N%19)C(O)=O
InChI
InChIKey=LTUONTFKVOUYHB-SDAZKDLGSA-N
InChI=1S/3C30H34ClN7O10S2.4C7H8O3S.H2O4S/c3*1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31;4*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h3*5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47);4*2-5H,1H3,(H,8,9,10);(H2,1,2,3,4)/t3*20-,26-;;;;;/m111...../s1
| Molecular Formula | C30H35ClN7O10S2 |
| Molecular Weight | 753.223 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | O4S |
| Molecular Weight | 96.063 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H7O3S |
| Molecular Weight | 171.194 |
| Charge | -1 |
| 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 13:55:36 UTC 2023
by
admin
on
Sat Dec 16 13:55:36 UTC 2023
|
| Record UNII |
2V3QJ9TGE5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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131801106
Created by
admin on Sat Dec 16 13:55:36 UTC 2023 , Edited by admin on Sat Dec 16 13:55:36 UTC 2023
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2V3QJ9TGE5
Created by
admin on Sat Dec 16 13:55:36 UTC 2023 , Edited by admin on Sat Dec 16 13:55:36 UTC 2023
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2009350-94-9
Created by
admin on Sat Dec 16 13:55:36 UTC 2023 , Edited by admin on Sat Dec 16 13:55:36 UTC 2023
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DTXSID401027645
Created by
admin on Sat Dec 16 13:55:36 UTC 2023 , Edited by admin on Sat Dec 16 13:55:36 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |