Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H34ClN5O4.C4H4O4 |
| Molecular Weight | 692.158 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.NC(=O)N(O)CCC#CC1=CC=C(OCCN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(Cl)C=C4)C(=C1)C(N)=O
InChI
InChIKey=LIIVZBKMTGRYTD-ATWZRPTOSA-N
InChI=1S/C31H34ClN5O4.C4H4O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39;5-3(6)1-2-4(7)8/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39);1-2H,(H,5,6)(H,7,8)/b;2-1+/t29-;/m1./s1
| Molecular Formula | C31H34ClN5O4 |
| Molecular Weight | 576.086 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:53:17 GMT 2023
by
admin
on
Sat Dec 16 18:53:17 GMT 2023
|
| Record UNII |
ZAP3LN9EEA
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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299461-16-8
Created by
admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
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PRIMARY | |||
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ZAP3LN9EEA
Created by
admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
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PRIMARY | |||
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15948993
Created by
admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
Chemical synthesis of compound.
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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