Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C76H52O46.C18H21NO3 |
Molecular Weight | 2000.5627 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@H](C4)[C@]5([H])CCC2=O.OC6=CC(=CC(O)=C6O)C(=O)OC7=CC(=CC(O)=C7O)C(=O)OC[C@H]8O[C@@H](OC(=O)C9=CC(O)=C(O)C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)=C9)[C@H](OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11)[C@@H](OC(=O)C%13=CC(O)=C(O)C(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C%13)[C@@H]8OC(=O)C%15=CC(O)=C(O)C(OC(=O)C%16=CC(O)=C(O)C(O)=C%16)=C%15
InChI
InChIKey=MGLIXEAMASGXSI-KBXDZNRUSA-N
InChI=1S/C76H52O46.C18H21NO3/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h1-20,52,63-65,76-101H,21H2;3,6,11-12,17H,4-5,7-9H2,1-2H3/t52-,63-,64+,65-,76+;11-,12+,17-,18-/m10/s1
Molecular Formula | C18H21NO3 |
Molecular Weight | 299.3642 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C76H52O46 |
Molecular Weight | 1701.1985 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:10:54 UTC 2023
by
admin
on
Fri Dec 15 18:10:54 UTC 2023
|
Record UNII |
68T7388F5H
|
Record Status |
Validated (UNII)
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Record Version |
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-
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16208253
Created by
admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
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68T7388F5H
Created by
admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
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597355
Created by
admin on Fri Dec 15 18:10:54 UTC 2023 , Edited by admin on Fri Dec 15 18:10:54 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |