Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H35Cl2N3O2 |
| Molecular Weight | 552.535 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)C2=CC=CC=C2)C3=CC=C(Cl)C(Cl)=C3)C(=O)C4=CC=CC=C4
InChI
InChIKey=PGKXDIMONUAMFR-AREMUKBSSA-N
InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
| Molecular Formula | C31H35Cl2N3O2 |
| Molecular Weight | 552.535 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:31:25 UTC 2023
by
admin
on
Sat Dec 16 16:31:25 UTC 2023
|
| Record UNII |
720U2QK8I5
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C265
Created by
admin on Sat Dec 16 16:31:26 UTC 2023 , Edited by admin on Sat Dec 16 16:31:26 UTC 2023
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| Code System | Code | Type | Description | ||
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SUB10449MIG
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7487
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104974
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142001-63-6
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Saredutant
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DTXSID00161923
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100000084095
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2111
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DB06660
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C152301
Created by
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720U2QK8I5
Created by
admin on Sat Dec 16 16:31:26 UTC 2023 , Edited by admin on Sat Dec 16 16:31:26 UTC 2023
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CHEMBL308148
Created by
admin on Sat Dec 16 16:31:26 UTC 2023 , Edited by admin on Sat Dec 16 16:31:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR |
Tachykinin NK2 receptor antagonist that was developed by Sanofi-Aventis for anti-depressant potential
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
