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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25N3O7
Molecular Weight 443.4498
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N7-DEMETHYLMINOCYCLINE

SMILES

CNC1=CC=C(O)C2=C1C[C@H]3C[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C2=O

InChI

InChIKey=QIFALPZRQOUILR-ADMKQJKVSA-N
InChI=1S/C22H25N3O7/c1-24-11-4-5-12(26)14-9(11)6-8-7-10-16(25(2)3)18(28)15(21(23)31)20(30)22(10,32)19(29)13(8)17(14)27/h4-5,8,10,16,24,26,28-29,32H,6-7H2,1-3H3,(H2,23,31)/t8-,10-,16-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25N3O7
Molecular Weight 443.4498
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Y2Y7SRK3P0
Record Status Validated (UNII)
Record Version