Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H29N3S2.2C4H4O4 |
Molecular Weight | 631.76 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCSC1=CC2=C(SC3=C(C=CC=C3)N2CCCN4CCN(C)CC4)C=C1
InChI
InChIKey=RVBRTNPNFYFDMZ-SPIKMXEPSA-N
InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
Molecular Formula | C22H29N3S2 |
Molecular Weight | 399.616 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:05:32 UTC 2023
by
admin
on
Fri Dec 15 15:05:32 UTC 2023
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Record UNII |
RUK64CF26E
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C267
Created by
admin on Fri Dec 15 15:05:32 UTC 2023 , Edited by admin on Fri Dec 15 15:05:32 UTC 2023
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SUB71453
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SUB04808MIG
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m10737
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admin on Fri Dec 15 15:05:32 UTC 2023 , Edited by admin on Fri Dec 15 15:05:32 UTC 2023
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PRIMARY | Merck Index | ||
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RUK64CF26E
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C29497
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DBSALT001059
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5282398
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1179-69-7
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32216
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100000091798
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CHEMBL1378
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130044
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214-648-9
Created by
admin on Fri Dec 15 15:05:32 UTC 2023 , Edited by admin on Fri Dec 15 15:05:32 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |