Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H34ClN7O10S2.2C7H8O3S.H2O |
| Molecular Weight | 1114.633 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.[H][C@]34SCC(C[N+]6(CCNC(=O)C5=C(Cl)C(O)=C(O)C=C5)CCCC6)=C(N3C(=O)[C@H]4NC(=O)C(=N/OC(C)(C)C(O)=O)\C7=CSC(N)=N7)C([O-])=O
InChI
InChIKey=FNRCOAIUGNUCMQ-PGQCXATESA-N
InChI=1S/C30H34ClN7O10S2.2C7H8O3S.H2O/c1-30(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;2*1-6-2-4-7(5-3-6)11(8,9)10;/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47);2*2-5H,1H3,(H,8,9,10);1H2/t20-,26-;;;/m1.../s1
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:36:54 UTC 2023
by
admin
on
Sat Dec 16 11:36:54 UTC 2023
|
| Record UNII |
3HA30AS289
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1883830-01-0
Created by
admin on Sat Dec 16 11:36:54 UTC 2023 , Edited by admin on Sat Dec 16 11:36:54 UTC 2023
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PRIMARY | |||
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137321962
Created by
admin on Sat Dec 16 11:36:54 UTC 2023 , Edited by admin on Sat Dec 16 11:36:54 UTC 2023
|
PRIMARY | |||
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3HA30AS289
Created by
admin on Sat Dec 16 11:36:54 UTC 2023 , Edited by admin on Sat Dec 16 11:36:54 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |