Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C66H86N18O12.2C2H4O2 |
Molecular Weight | 1443.6064 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(CC3=CC=CC=C3)C=N2)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChIKey=BKEMVGVBBDMHKL-VYFXDUNUSA-N
InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1
Molecular Formula | C66H86N18O12 |
Molecular Weight | 1323.5024 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2H4O2 |
Molecular Weight | 60.052 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:37:48 UTC 2023
by
admin
on
Fri Dec 15 15:37:48 UTC 2023
|
Record UNII |
QMG7HLD1ZE
|
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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FDA ORPHAN DRUG |
16986
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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NCI_THESAURUS |
C1910
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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Code System | Code | Type | Description | ||
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Histrelin acetate
Created by
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PRIMARY | |||
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CHEMBL1201255
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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56927879
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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C77424
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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m6030
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | Merck Index | ||
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QMG7HLD1ZE
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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63530
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admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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DBSALT001172
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admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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QMG7HLD1ZE
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admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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DTXSID30176580
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admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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220810-26-4
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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PRIMARY | |||
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SUB02528MIG
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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100000086685
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 UTC 2023
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1294622
Created by
admin on Fri Dec 15 15:37:48 UTC 2023 , Edited by admin on Fri Dec 15 15:37:48 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 |