Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H30NO4 |
| Molecular Weight | 360.4672 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI
InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1
| Molecular Formula | C21H29NO4 |
| Molecular Weight | 359.4593 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:44:20 GMT 2025
by
admin
on
Mon Mar 31 18:44:20 GMT 2025
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| Record UNII |
2Z3E1OF81V
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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| Classification Tree | Code System | Code | ||
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WHO-ATC |
A03BB01
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NCI_THESAURUS |
C29704
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WHO-VATC |
QA03DB04
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WHO-ATC |
A03DB04
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WHO-VATC |
QA03BB01
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admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
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| Code System | Code | Type | Description | ||
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DTXSID4048145
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BUTYLSCOPOLAMINE
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2Z3E1OF81V
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145701
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7642
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1085787
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C83571
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100000086194
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7182-53-8
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2Z3E1OF81V
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SUB20624
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DB09300
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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
