Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H30Cl2O6.H2O |
| Molecular Weight | 539.445 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C
InChI
InChIKey=AQCCVUHZMIMSIB-HRVPQZBTSA-N
InChI=1S/C27H30Cl2O6.H2O/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20;/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3;1H2/t15-,18+,19+,21+,24+,25+,26+,27+;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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CFR |
21 CFR 524.1610
Created by
admin on Fri Dec 15 15:57:04 UTC 2023 , Edited by admin on Fri Dec 15 15:57:04 UTC 2023
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DBSALT001244
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141646-00-6
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100000137366
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MTW0WEG809
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CHEMBL1161
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153374
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MTW0WEG809
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m7597
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9893453
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DTXSID60931149
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SUB75332
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
