Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H29ClN6O3.C4H4O4.H2O |
| Molecular Weight | 691.13 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)\C=C/C(O)=O.CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(=C1)N=CC(C#N)=C2NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3
InChI
InChIKey=RLHWZKSMMZVQPD-VCGXHCGKSA-N
InChI=1S/C30H29ClN6O3.C4H4O4.H2O/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;5-3(6)1-2-4(7)8;/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8);1H2/b9-7+;2-1-;
| 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 | C30H29ClN6O3 |
| Molecular Weight | 557.043 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:11:27 UTC 2023
by
admin
on
Sat Dec 16 19:11:27 UTC 2023
|
| Record UNII |
KF5ZU8T8W2
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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KF5ZU8T8W2
Created by
admin on Sat Dec 16 19:11:28 UTC 2023 , Edited by admin on Sat Dec 16 19:11:28 UTC 2023
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PRIMARY | |||
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1144516-12-0
Created by
admin on Sat Dec 16 19:11:28 UTC 2023 , Edited by admin on Sat Dec 16 19:11:28 UTC 2023
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PRIMARY | |||
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25267298
Created by
admin on Sat Dec 16 19:11:28 UTC 2023 , Edited by admin on Sat Dec 16 19:11:28 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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IMPURITY -> PARENT |
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![Structure of 6-Amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-3-quinolinecarbonitrile](/img/5a301a72-ed70-4e41-850f-7adc73827ce8.svg "Structure of 6-Amino-4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-ethoxy-3-quinolinecarbonitrile")