Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C46H64N14O12S2.C2H4O2.3H2O |
| Molecular Weight | 1183.315 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CC(O)=O.NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChI
InChIKey=YNKFCNRZZPFMEX-XHPDKPNGSA-N
InChI=1S/C46H64N14O12S2.C2H4O2.3H2O/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4;;;/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4);3*1H2/t28-,29+,30+,31+,32+,33+,34+;;;;/m1..../s1
Approval Year
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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FDA ORPHAN DRUG |
51490
Created by
admin on Fri Dec 15 15:23:51 UTC 2023 , Edited by admin on Fri Dec 15 15:23:51 UTC 2023
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NCI_THESAURUS |
C80212
Created by
admin on Fri Dec 15 15:23:51 UTC 2023 , Edited by admin on Fri Dec 15 15:23:51 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1173202
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4450
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62357-86-2
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SUB21605
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DBSALT001154
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SUB01597MIG
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CHEMBL1429
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XB13HYU18U
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59726
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XB13HYU18U
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C47475
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59728
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100000084890
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46783812
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admin on Fri Dec 15 15:23:51 UTC 2023 , Edited by admin on Fri Dec 15 15:23:51 UTC 2023
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42634
Created by
admin on Fri Dec 15 15:23:51 UTC 2023 , Edited by admin on Fri Dec 15 15:23:51 UTC 2023
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PRIMARY | RxNorm |
ACTIVE MOIETY
SUBSTANCE RECORD