Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H23F3N4O3.2CH4O3S |
Molecular Weight | 640.65 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CC1=C(F)C(N)=C2C(=O)C=C(OC2=C1F)C3=CC=C(NC(=O)[C@@H](N)CCCCN)C(F)=C3
InChI
InChIKey=FDQJDUBLCBZBCQ-GXKRWWSZSA-N
InChI=1S/C22H23F3N4O3.2CH4O3S/c1-10-18(24)20(28)17-15(30)9-16(32-21(17)19(10)25)11-5-6-14(12(23)8-11)29-22(31)13(27)4-2-3-7-26;2*1-5(2,3)4/h5-6,8-9,13H,2-4,7,26-28H2,1H3,(H,29,31);2*1H3,(H,2,3,4)/t13-;;/m0../s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2163
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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Code System | Code | Type | Description | ||
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21144069
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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PRIMARY | |||
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468719-53-1
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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PRIMARY | |||
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73JNH95XPX
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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PRIMARY | |||
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C48370
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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PRIMARY | |||
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100000174975
Created by
admin on Sat Dec 16 07:33:12 UTC 2023 , Edited by admin on Sat Dec 16 07:33:12 UTC 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD