Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31ClN6O9 |
| Molecular Weight | 643.044 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(C(=O)N2CCN(CC[C@H]2CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=NC5=C(O4)C=CC(Cl)=C5)=C(C=C1)N6N=CC=N6
InChI
InChIKey=ANRMLQUXTPHAEW-QAHRJNDASA-N
InChI=1S/C29H31ClN6O9/c1-15-2-4-20(36-31-7-8-32-36)18(12-15)26(40)35-11-10-34(29-33-19-13-16(30)3-5-21(19)44-29)9-6-17(35)14-43-28-24(39)22(37)23(38)25(45-28)27(41)42/h2-5,7-8,12-13,17,22-25,28,37-39H,6,9-11,14H2,1H3,(H,41,42)/t17-,22-,23-,24+,25-,28+/m0/s1
| Molecular Formula | C29H31ClN6O9 |
| Molecular Weight | 643.044 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:34:56 GMT 2023
by
admin
on
Sat Dec 16 18:34:56 GMT 2023
|
| Record UNII |
63UD4J2NG8
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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63UD4J2NG8
Created by
admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023
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PRIMARY | |||
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156613649
Created by
admin on Sat Dec 16 18:34:56 GMT 2023 , Edited by admin on Sat Dec 16 18:34:56 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In plasma, M12 was the minor metabolite. In urine, M12 was accounted for 2.7% of the dose.
PLASMA; URINE
|
