Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H42N6O2S.2ClH |
| Molecular Weight | 647.702 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.CCO[C@@H]1CC2=CC(=CC=C2[C@H]1N3CCN(C[C@@H]3C)C4(C)CCN(CC4)C(=O)C5=C(C)N=CN=C5C)C6=NC=CS6
InChI
InChIKey=ADJGARLMVJDPCJ-LUWJQPJNSA-N
InChI=1S/C32H42N6O2S.2ClH/c1-6-40-27-18-25-17-24(30-33-11-16-41-30)7-8-26(25)29(27)38-15-14-37(19-21(38)2)32(5)9-12-36(13-10-32)31(39)28-22(3)34-20-35-23(28)4;;/h7-8,11,16-17,20-21,27,29H,6,9-10,12-15,18-19H2,1-5H3;2*1H/t21-,27+,29+;;/m0../s1
| Molecular Formula | C32H42N6O2S |
| Molecular Weight | 574.78 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:08:32 GMT 2025
by
admin
on
Mon Mar 31 21:08:32 GMT 2025
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| Record UNII |
H5752XPS8M
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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H5752XPS8M
Created by
admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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![Structure of (4,6-Dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R,2R)-2-ethoxy-2,3-dihydro-5-(2-thiazolyl)-1H-inden-1-yl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone](/img/2dca27d5-587e-4e22-b458-a4f94b660ad4.svg "Structure of (4,6-Dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R,2R)-2-ethoxy-2,3-dihydro-5-(2-thiazolyl)-1H-inden-1-yl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone")