Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 5C22H24N2O8.Na.O3P.5HO3P |
Molecular Weight | 2724.034 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 25 / 25 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].OP(=O)=O.OP(=O)=O.OP(=O)=O.OP(=O)=O.OP(=O)=O.[O-]P(=O)=O.[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C.[H][C@@]56C[C@@]7([H])C(C(=O)C8=C(O)C=CC=C8[C@@]7(C)O)=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@H]6N(C)C.[H][C@@]9%10C[C@@]%11([H])C(C(=O)C%12=C(O)C=CC=C%12[C@@]%11(C)O)=C(O)[C@]9(O)C(=O)C(C(N)=O)=C(O)[C@H]%10N(C)C.[H][C@@]%13%14C[C@@]%15([H])C(C(=O)C%16=C(O)C=CC=C%16[C@@]%15(C)O)=C(O)[C@]%13(O)C(=O)C(C(N)=O)=C(O)[C@H]%14N(C)C.[H][C@@]%17%18C[C@@]%19([H])C(C(=O)C%20=C(O)C=CC=C%20[C@@]%19(C)O)=C(O)[C@]%17(O)C(=O)C(C(N)=O)=C(O)[C@H]%18N(C)C
InChI
InChIKey=DKNFPOTZPZOJHC-LBTQIPEASA-M
InChI=1S/5C22H24N2O8.Na.6HO3P/c5*1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;;6*1-4(2)3/h5*4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);;6*(H,1,2,3)/q;;;;;+1;;;;;;/p-1/t5*9-,10-,15-,21+,22-;;;;;;;/m00000......./s1
Molecular Formula | C22H24N2O8 |
Molecular Weight | 444.4346 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 | HO3P |
Molecular Weight | 79.9799 |
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 15:01:02 UTC 2023
by
admin
on
Fri Dec 15 15:01:02 UTC 2023
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Record UNII |
6B7BK5H33B
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Record Status |
Validated (UNII)
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Record Version |
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-
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CFR |
21 CFR 520.2345F
Created by
admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
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NCI_THESAURUS |
C1595
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admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
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C87225
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2105975
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CHEMBL1440
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100000084818
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73050795
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15664-14-9
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1336-20-5
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6B7BK5H33B
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m10611
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admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
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PRIMARY | Merck Index | ||
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SUB04761MIG
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215-646-0
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |