Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H18N3O10.2C7H17NO5.Gd.2H |
| Molecular Weight | 938.0 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
InChI
InChIKey=LGMLJQFQKXPRGA-VPVMAENOSA-K
InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C62358
Created by
admin on Fri Dec 15 16:28:47 UTC 2023 , Edited by admin on Fri Dec 15 16:28:47 UTC 2023
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| Code System | Code | Type | Description | ||
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100000090576
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RH248G8V27
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SUB02297MIG
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DTXSID70235367
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86050-77-3
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4558
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CHEMBL1200431
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C2588
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m5627
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admin on Fri Dec 15 16:28:47 UTC 2023 , Edited by admin on Fri Dec 15 16:28:47 UTC 2023
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25486
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31797
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7548
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DB00789
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55466
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ACTIVE MOIETY
ACTIVE MOIETY
SUBSTANCE RECORD