Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H36ClN3O5S.2C4H4O4 |
| Molecular Weight | 830.297 |
| 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.COC1=CC(=CC(OC)=C1OC)C(=O)OCCN2CCN(CCCN3C4=C(SC5=C3C=C(Cl)C=C5)C=CC=C4)CC2
InChI
InChIKey=ZDTAJBBRWBBHSZ-LVEZLNDCSA-N
InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
| Molecular Formula | C31H36ClN3O5S |
| Molecular Weight | 598.153 |
| 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
Mon Mar 31 21:19:33 GMT 2025
by
admin
on
Mon Mar 31 21:19:33 GMT 2025
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| Record UNII |
2A3RCX7T4J
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| Record Status |
Validated (UNII)
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| Record Version |
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6433198
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m7491
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admin on Mon Mar 31 21:19:33 GMT 2025 , Edited by admin on Mon Mar 31 21:19:33 GMT 2025
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2A3RCX7T4J
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admin on Mon Mar 31 21:19:34 GMT 2025 , Edited by admin on Mon Mar 31 21:19:34 GMT 2025
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522-23-6
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admin on Mon Mar 31 21:19:33 GMT 2025 , Edited by admin on Mon Mar 31 21:19:33 GMT 2025
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