Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C56H70N9O23S.Na.2H2O |
| Molecular Weight | 1328.287 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]3([H])[C@@H](O)[C@@H](C)CN3C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C4=CC(OS([O-])(=O)=O)=C(O)C=C4)[C@H](O)CC(N)=O)NC(=O)C5=CC=C(C=C5)C6=NOC(=C6)C7=CC=C(OCCCCC)C=C7)[C@@H](C)O
InChI
InChIKey=GNIAFSGJOPITOX-AVTCCIINSA-M
InChI=1S/C56H71N9O23S.Na.2H2O/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;;;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);;2*1H2/q;+1;;/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;;;/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 | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C56H70N9O23S |
| Molecular Weight | 1269.267 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:42:14 UTC 2023
by
admin
on
Sat Dec 16 18:42:14 UTC 2023
|
| Record UNII |
R8QS8RE925
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English |
| Code System | Code | Type | Description | ||
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131666059
Created by
admin on Sat Dec 16 18:42:15 UTC 2023 , Edited by admin on Sat Dec 16 18:42:15 UTC 2023
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PRIMARY | |||
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2054923-12-3
Created by
admin on Sat Dec 16 18:42:15 UTC 2023 , Edited by admin on Sat Dec 16 18:42:15 UTC 2023
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PRIMARY | |||
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300000023932
Created by
admin on Sat Dec 16 18:42:15 UTC 2023 , Edited by admin on Sat Dec 16 18:42:15 UTC 2023
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PRIMARY | |||
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R8QS8RE925
Created by
admin on Sat Dec 16 18:42:15 UTC 2023 , Edited by admin on Sat Dec 16 18:42:15 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
PARENT -> SALT/SOLVATE |
|
