Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H31ClN4O5.C4H11NO3.H2O |
| Molecular Weight | 714.205 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.NC(CO)(CO)CO.C[C@@]1(OC2=CC=CC(C3CCN(CC4=NC5=C(C=C(C=C5)C(O)=O)N4C[C@@H]6CCO6)CC3)=C2O1)C7=NC=C(Cl)C=C7
InChI
InChIKey=JNBFKKMGISDXBG-CFAKAVSVSA-N
InChI=1S/C31H31ClN4O5.C4H11NO3.H2O/c1-31(27-8-6-21(32)16-33-27)40-26-4-2-3-23(29(26)41-31)19-9-12-35(13-10-19)18-28-34-24-7-5-20(30(37)38)15-25(24)36(28)17-22-11-14-39-22;5-4(1-6,2-7)3-8;/h2-8,15-16,19,22H,9-14,17-18H2,1H3,(H,37,38);6-8H,1-3,5H2;1H2/t22-,31-;;/m0../s1
| Molecular Formula | C4H11NO3 |
| Molecular Weight | 121.135 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C31H31ClN4O5 |
| Molecular Weight | 575.055 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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
Sat Dec 16 15:42:07 GMT 2023
by
admin
on
Sat Dec 16 15:42:07 GMT 2023
|
| Record UNII |
LW0PGN89E4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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165075097
Created by
admin on Sat Dec 16 15:42:07 GMT 2023 , Edited by admin on Sat Dec 16 15:42:07 GMT 2023
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PRIMARY | |||
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2649817-23-0
Created by
admin on Sat Dec 16 15:42:07 GMT 2023 , Edited by admin on Sat Dec 16 15:42:07 GMT 2023
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PRIMARY | |||
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LW0PGN89E4
Created by
admin on Sat Dec 16 15:42:07 GMT 2023 , Edited by admin on Sat Dec 16 15:42:07 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
|
