Details
Stereochemistry | ACHIRAL |
Molecular Formula | C29H28N6O2.ClH.H2O |
Molecular Weight | 547.048 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.CN1CCC(COC2=CN=C(N=C2)C3=CC(CN4N=C(C=CC4=O)C5=CC(=CC=C5)C#N)=CC=C3)CC1
InChI
InChIKey=KZVOMLRKFJUTLK-UHFFFAOYSA-N
InChI=1S/C29H28N6O2.ClH.H2O/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30;;/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3;1H;1H2
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 |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C29H28N6O2 |
Molecular Weight | 492.5716 |
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 14:18:42 UTC 2023
by
admin
on
Sat Dec 16 14:18:42 UTC 2023
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Record UNII |
VY5YX2TQ1F
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Record Status |
Validated (UNII)
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Record Version |
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-
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VY5YX2TQ1F
Created by
admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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1234780-14-3
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admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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1946826-82-9
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admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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300000011280
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admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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C171761
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admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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HI-33
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admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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2477104
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1100598-30-8
Created by
admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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46700774
Created by
admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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VY5YX2TQ1F
Created by
admin on Sat Dec 16 14:18:42 UTC 2023 , Edited by admin on Sat Dec 16 14:18:42 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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