Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H29Cl2N7O8 |
| Molecular Weight | 674.489 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=O)C1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=C(Cl)C=CC=C5)NO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O
InChI
InChIKey=QCNHCLYCHSIJBA-AWZWVWSRSA-N
InChI=1S/C29H29Cl2N7O8/c30-14-5-7-15(8-6-14)38-23(16-3-1-2-4-17(16)31)35-18-24(33-13-34-25(18)38)37-11-9-29(10-12-37,28(32)44)36-46-27-21(41)19(39)20(40)22(45-27)26(42)43/h1-8,13,19-22,27,36,39-41H,9-12H2,(H2,32,44)(H,42,43)/t19-,20-,21+,22-,27-/m0/s1
| Molecular Formula | C29H29Cl2N7O8 |
| Molecular Weight | 674.489 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:11:55 GMT 2025
by
admin
on
Wed Apr 02 07:11:55 GMT 2025
|
| Record UNII |
XJN88C5NRE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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XJN88C5NRE
Created by
admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
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PRIMARY | |||
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154584816
Created by
admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
