Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H48N4O3.2H2O |
| Molecular Weight | 668.8647 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CC[C@@H]1C[N@@]2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]5CO[C@@H]([C@@H]([C@@H]6C[C@@H]7N(CCC8=C7NC9=C8C=CC=C9)C\C6=C\C)C(=O)OC)N([C@H]35)C%10=CC=CC=C4%10
InChI
InChIKey=NMOYIJCIUQWOPR-KPZPOVKOSA-N
InChI=1S/C40H48N4O3.2H2O/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36;;/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3;2*1H2/b24-5-;;/t23-,27+,28-,29+,33+,34+,35-,37+,38+,40-;;/m1../s1
| Molecular Formula | C40H48N4O3 |
| Molecular Weight | 632.8341 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 1 |
| 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
Mon Mar 31 23:33:39 GMT 2025
by
admin
on
Mon Mar 31 23:33:39 GMT 2025
|
| Record UNII |
22ML425781
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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6056-65-1
Created by
admin on Mon Mar 31 23:33:39 GMT 2025 , Edited by admin on Mon Mar 31 23:33:39 GMT 2025
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90479228
Created by
admin on Mon Mar 31 23:33:39 GMT 2025 , Edited by admin on Mon Mar 31 23:33:39 GMT 2025
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m5684
Created by
admin on Mon Mar 31 23:33:39 GMT 2025 , Edited by admin on Mon Mar 31 23:33:39 GMT 2025
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PRIMARY | Merck Index | ||
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22ML425781
Created by
admin on Mon Mar 31 23:33:39 GMT 2025 , Edited by admin on Mon Mar 31 23:33:39 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
