Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C34H38Cl2N2O6S.ClH |
Molecular Weight | 710.107 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC(=CC(OC)=C1OC)C(=O)N2CCO[C@@](CCN3CCC4(CC3)[S@@+]([O-])CC5=C4C=CC=C5)(C2)C6=CC(Cl)=C(Cl)C=C6
InChI
InChIKey=IHDDYKNRVLPVEV-FFKPOUSOSA-N
InChI=1S/C34H38Cl2N2O6S.ClH/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40;/h4-9,18-20H,10-17,21-22H2,1-3H3;1H/t33-,45-;/m0./s1
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 | C34H38Cl2N2O6S |
Molecular Weight | 673.646 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:37:38 UTC 2023
by
admin
on
Fri Dec 15 15:37:38 UTC 2023
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Record UNII |
W4Z4RE0JZQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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216776-73-7
Created by
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912942-58-6
Created by
admin on Fri Dec 15 15:37:38 UTC 2023 , Edited by admin on Fri Dec 15 15:37:38 UTC 2023
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9831640
Created by
admin on Fri Dec 15 15:37:38 UTC 2023 , Edited by admin on Fri Dec 15 15:37:38 UTC 2023
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W4Z4RE0JZQ
Created by
admin on Fri Dec 15 15:37:38 UTC 2023 , Edited by admin on Fri Dec 15 15:37:38 UTC 2023
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PRIMARY |
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Alternative Names: CS-003, R-113281; Mechanism of Action: Tachykinin receptor antagonists; Discontinued: For - Asthma, Chronic obstructive pulmonary disease
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