Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H29N3O4S.2ClH |
Molecular Weight | 552.513 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.COC1=C(OC)C=C(CCNC[C@H](O)COC2=CC=C(C=C2)C3=NC(=CN3)C4=CC=CS4)C=C1
InChI
InChIKey=FUNPLUUFCGTLEV-FJSYBICCSA-N
InChI=1S/C26H29N3O4S.2ClH/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25;;/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29);2*1H/t20-;;/m0../s1
Molecular Formula | C26H29N3O4S |
Molecular Weight | 479.591 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
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
Fri Dec 15 15:10:56 UTC 2023
by
admin
on
Fri Dec 15 15:10:56 UTC 2023
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Record UNII |
TXX3AK0HXY
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Record Status |
Validated (UNII)
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Record Version |
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-
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TXX3AK0HXY
Created by
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DTXSID601006227
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85648-09-5
Created by
admin on Fri Dec 15 15:10:56 UTC 2023 , Edited by admin on Fri Dec 15 15:10:56 UTC 2023
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13157385
Created by
admin on Fri Dec 15 15:10:56 UTC 2023 , Edited by admin on Fri Dec 15 15:10:56 UTC 2023
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Related Record | Type | Details | ||
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ACTIVE MOIETY |