Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H37N5O9.4Na |
Molecular Weight | 799.6876 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].CCC1=C(C)C2=CC3=C(C=C)C(C)=C(N3)C=C4N=C([C@@H](CCC([O-])=O)[C@@H]4C)C(CC(=O)N[C@@H](CC([O-])=O)C([O-])=O)=C5NC(=CC1=N2)C(C)=C5C([O-])=O
InChI
InChIKey=KPALSRNVSRWOPA-YJFNSWLASA-J
InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22-,30-;;;;/m0..../s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C38H35N5O9 |
Molecular Weight | 705.7126 |
Charge | -4 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:49:39 UTC 2023
by
admin
on
Fri Dec 15 15:49:39 UTC 2023
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Record UNII |
L63605PZ70
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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 |
C1420
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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Code System | Code | Type | Description | ||
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C26675
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PRIMARY | |||
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220201-34-3
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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m10436
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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PRIMARY | Merck Index | ||
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DB05918
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OO-19
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admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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PRIMARY | |||
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LASERPHYRIN
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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PRIMARY | APPROVED MAY 2015 | ||
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300000044499
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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PRIMARY | |||
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L63605PZ70
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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CHEMBL2111186
Created by
admin on Fri Dec 15 15:49:39 UTC 2023 , Edited by admin on Fri Dec 15 15:49:39 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |