Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C24H28NO5.2C24H27N5O3.6Na.5H2O |
Molecular Weight | 1915.9864 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC([O-])=O.CCOC(=O)[C@H](C)C[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CCC([O-])=O.CCCCC(=O)N(CC5=CC=C(C=C5)C6=C(C=CC=C6)C7=NN=N[N-]7)[C@@H](C(C)C)C([O-])=O.CCCCC(=O)N(CC8=CC=C(C=C8)C9=C(C=CC=C9)C%10=NN=N[N-]%10)[C@@H](C(C)C)C([O-])=O
InChI
InChIKey=ZASXKEGREHRXDL-CAWNUZPDSA-H
InChI=1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2/q;;;;6*+1;;;;;/p-6/t2*22-;2*17-,21+;;;;;;;;;;;/m0011.........../s1
Approval Year
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DTXSID50239500
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SUB171905
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C162629
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WB8FT61183
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SUB183754
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100000169968
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71449007
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936623-90-4
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admin on Sat Dec 16 05:50:53 GMT 2023 , Edited by admin on Sat Dec 16 05:50:53 GMT 2023
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ACTIVE MOIETY
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD