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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
Structure of STRYCHNINE 2-GLYCEROPHOSPHATE

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

HIDE SMILES / InChI

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 Fri Dec 15 15:38:16 GMT 2023
Edited
by admin
on Fri Dec 15 15:38:16 GMT 2023
Record UNII
84832M2KRO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STRYCHNINE 2-GLYCEROPHOSPHATE
Common Name English
Code System Code Type Description
PUBCHEM
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
PRIMARY
FDA UNII
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
PRIMARY