Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H40N2O4.2ClH.H2O |
| Molecular Weight | 571.576 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl[H].Cl[H].[H]O[H].[H][C@]4(C[C@H]1C[C@]2([H])N(CCC3=C2C=C(OC)C(OC)=C3)C[C@@H]1CC)NCCC5=C4C=C(OC)C(OC)=C5
InChI
InChIKey=IZTPMTAWOCEKKM-VXMYZLRESA-N
InChI=1S/C29H40N2O4.2ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;1H2/t18-,21-,24+,25-;;;/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 | C29H40N2O4 |
| Molecular Weight | 480.6389 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:51:49 UTC 2023
by
admin
on
Sat Dec 16 09:51:49 UTC 2023
|
| Record UNII |
99K15P31AB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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7083-71-8
Created by
admin on Sat Dec 16 09:51:49 UTC 2023 , Edited by admin on Sat Dec 16 09:51:49 UTC 2023
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201899
Created by
admin on Sat Dec 16 09:51:49 UTC 2023 , Edited by admin on Sat Dec 16 09:51:49 UTC 2023
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PRIMARY | |||
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99K15P31AB
Created by
admin on Sat Dec 16 09:51:49 UTC 2023 , Edited by admin on Sat Dec 16 09:51:49 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
