Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H34ClN5O4.C4H6O6 |
| Molecular Weight | 726.173 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=O)N(O)CCC#CC1=CC(C(N)=O)=C(OCCN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(Cl)C=C4)C=C1
InChI
InChIKey=YQXRKDBKRSBFLL-XLJOHFJVSA-N
InChI=1S/C31H34ClN5O4.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39);1-2,5-6H,(H,7,8)(H,9,10)/t29-;1-,2-/m11/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 | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:28:46 GMT 2025
by
admin
on
Tue Apr 01 16:28:46 GMT 2025
|
| Record UNII |
S27FJD4EJD
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Code | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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299461-19-1
Created by
admin on Tue Apr 01 16:28:46 GMT 2025 , Edited by admin on Tue Apr 01 16:28:46 GMT 2025
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PRIMARY | |||
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S27FJD4EJD
Created by
admin on Tue Apr 01 16:28:46 GMT 2025 , Edited by admin on Tue Apr 01 16:28:46 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Chemical synthesis of compound.
|
