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08. Chemical Category |
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08. Chemical Category |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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(1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1) |
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ChEBI Compound Accession Identifier: |
[CHEBI:59823] |
ChEBI Compound Description: |
The dichloride salt of (1S,2R,1'S,2'R)-doxacurium. |
ChEBI Compound Identification Number: |
59823 |
ChEBI InChI Value: |
"InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m0../s1" |
ChEBI InChIKey Value: |
APADFLLAXHIMFU-MSZODMFZSA-L |
ChEBI Compound Name: |
(1S,2R,1'S,2'R)-doxacurium chloride |
ChEBI SMILES Value: |
[Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC |
ChEBI Substance ID: |
99319659 |
ChEBI URL: |
ChEBI:59823 |
ChemSpider ID: |
26331728 |
Ontomatica Chemical Accession Key (OnChAKey): |
APADFLLAXHIMFU_MSZODMFZSA_L_000_000000 |
PubChem Compound ID: |
46878552 |