Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C21H22N2O2.C3H9O6P |
Molecular Weight | 840.8969 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC(CO)OP(O)(O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H].[H][C@]89C[C@@]%10([H])C%11=CCO[C@@]%12([H])CC(=O)N%13C%14=C(C=CC=C%14)[C@@]8(CCN9C%11)[C@]%13([H])[C@@]%10%12[H]
InChI
InChIKey=NJGJYCFIUNPJMV-ZNUXJMJHSA-N
InChI=1S/2C21H22N2O2.C3H9O6P/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(2-5)9-10(6,7)8/h2*1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
Molecular Formula | C21H22N2O2 |
Molecular Weight | 334.4116 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C3H9O6P |
Molecular Weight | 172.0737 |
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
Fri Dec 15 15:38:16 GMT 2023
by
admin
on
Fri Dec 15 15:38:16 GMT 2023
|
Record UNII |
84832M2KRO
|
Record Status |
Validated (UNII)
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Record Version |
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-
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76962262
Created by
admin on Fri Dec 15 15:38:16 GMT 2023 , Edited by admin on Fri Dec 15 15:38:16 GMT 2023
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PRIMARY | |||
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84832M2KRO
Created by
admin on Fri Dec 15 15:38:16 GMT 2023 , Edited by admin on Fri Dec 15 15:38:16 GMT 2023
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PRIMARY |