Details
Stereochemistry | RACEMIC |
Molecular Formula | C46H58ClN5O8.2C4H4O4 |
Molecular Weight | 1076.579 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)CC2=C(C)N(C(=O)C3=CC=C(Cl)C=C3)C4=C2C=C(OC)C=C4)CC1)NC(=O)C5=CC=CC=C5
InChI
InChIKey=MKFWBVKQDGNXDW-SPIKMXEPSA-N
InChI=1S/C46H58ClN5O8.2C4H4O4/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35;2*5-3(6)1-2-4(7)8/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C46H58ClN5O8 |
Molecular Weight | 844.434 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:02:45 UTC 2023
by
admin
on
Fri Dec 15 19:02:45 UTC 2023
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Record UNII |
F2PUN24B8C
|
Record Status |
Validated (UNII)
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Record Version |
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-
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m9160
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SUB22421
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104060-59-5
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NON-SPECIFIC STOICHIOMETRY | |||
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F2PUN24B8C
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32057
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59209-40-4
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CHEMBL2105825
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SUB04061MIG
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C019541
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100000086044
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5282193
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ACTIVE MOIETY |