Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H39N7O3.H2O |
| Molecular Weight | 539.6696 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC[C@H]1N(C2CCCC2)C3=NC(NC4=CC=C(C=C4OC)C(=O)NC5CCN(C)CC5)=NC=C3N(C)C1=O
InChI
InChIKey=SNGCZXHIPSQJRH-VZYDHVRKSA-N
InChI=1S/C28H39N7O3.H2O/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19;/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32);1H2/t22-;/m1./s1
| Molecular Formula | C28H39N7O3 |
| Molecular Weight | 521.6544 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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 04:48:56 UTC 2023
by
admin
on
Sat Dec 16 04:48:56 UTC 2023
|
| Record UNII |
YNE54B32C0
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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876126-71-5
Created by
admin on Sat Dec 16 04:48:56 UTC 2023 , Edited by admin on Sat Dec 16 04:48:56 UTC 2023
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PRIMARY | |||
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131633363
Created by
admin on Sat Dec 16 04:48:56 UTC 2023 , Edited by admin on Sat Dec 16 04:48:56 UTC 2023
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300000013048
Created by
admin on Sat Dec 16 04:48:56 UTC 2023 , Edited by admin on Sat Dec 16 04:48:56 UTC 2023
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PRIMARY | |||
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YNE54B32C0
Created by
admin on Sat Dec 16 04:48:56 UTC 2023 , Edited by admin on Sat Dec 16 04:48:56 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |