Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C68H88N15O17S2.ORe |
| Molecular Weight | 1655.604 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=[188Re+3].C[C@@H](O)[C@H](NC(=O)[C@H](C[S-])[N-]C(=O)[C@H](CC1=CC=C(N)C=C1)[N-]C(=O)[C@@H](N)CNC(=O)CSCC[C@@H]2N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@H](CC6=CC=C(O)C=C6)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
InChI
InChIKey=XFXBNHJWVJESSZ-QDNYZEOZSA-K
InChI=1S/C68H91N15O17S2.O.Re/c1-36(85)56-65(96)78-51(29-38-11-5-4-6-12-38)67(98)83(3)54(64(95)77-49(28-40-18-22-43(87)23-19-40)60(91)76-50(30-41-31-72-46-14-8-7-13-44(41)46)62(93)74-47(59(90)81-56)15-9-10-25-69)24-26-102-35-55(88)73-32-45(71)58(89)75-48(27-39-16-20-42(70)21-17-39)61(92)80-53(34-101)63(94)82-57(37(2)86)66(97)79-52(33-84)68(99)100;;/h4-8,11-14,16-23,31,36-37,45,47-54,56-57,72,84-86H,9-10,15,24-30,32-35,69-71H2,1-3H3,(H13,73,74,75,76,77,78,79,80,81,82,87,88,89,90,91,92,93,94,95,96,97,99,100,101);;/q;;+3/p-3/t36-,37-,45+,47+,48+,49+,50-,51+,52+,53+,54+,56+,57+;;/m1../s1/i;;1+2
| Molecular Formula | ORe |
| Molecular Weight | 203.9575 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C68H88N15O17S2 |
| Molecular Weight | 1451.647 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:31:48 UTC 2023
by
admin
on
Fri Dec 15 15:31:48 UTC 2023
|
| Record UNII |
2H4MY43GJD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English | ||
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Code | English | ||
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Code | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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FDA ORPHAN DRUG |
434914
Created by
admin on Fri Dec 15 15:31:48 UTC 2023 , Edited by admin on Fri Dec 15 15:31:48 UTC 2023
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FDA ORPHAN DRUG |
403013
Created by
admin on Fri Dec 15 15:31:48 UTC 2023 , Edited by admin on Fri Dec 15 15:31:48 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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934712-65-9
Created by
admin on Fri Dec 15 15:31:48 UTC 2023 , Edited by admin on Fri Dec 15 15:31:48 UTC 2023
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PRIMARY | |||
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2H4MY43GJD
Created by
admin on Fri Dec 15 15:31:48 UTC 2023 , Edited by admin on Fri Dec 15 15:31:48 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
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NON-LABELED -> LABELED |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
