Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C82H103ClN18O16 |
Molecular Weight | 1632.259 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)NC(=O)[C@@H](CC7=CC=C8C=CC=CC8=C7)NC(C)=O)C(=O)N[C@H](C)C(N)=O
InChI
InChIKey=MEUCPCLKGZSHTA-XYAYPHGZSA-N
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
Molecular Formula | C82H103ClN18O16 |
Molecular Weight | 1632.259 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 6 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:31:47 UTC 2023
by
admin
on
Fri Dec 15 15:31:47 UTC 2023
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Record UNII |
SX0XJI3A11
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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EMA ASSESSMENT REPORTS |
FIRMAGON (AUTHORIZED: PROSTATIC NEOPLASMS)
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WHO-ATC |
L02BX02
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NCI_THESAURUS |
C2092
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LIVERTOX |
NBK548578
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WHO-VATC |
QL02BX02
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214766-78-6
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100000091843
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5585
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DEGARELIX
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475230
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DB06699
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C48385
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DTXSID801026401
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SX0XJI3A11
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7817
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TT-85
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CHEMBL415606
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8192
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m4136
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SX0XJI3A11
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SUB27748
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4379
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16136245
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METABOLITE -> PARENT |
MAJOR
FECAL
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ACTIVE MOIETY |