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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 N4-DEMETHYLMINOCYCLINE

SMILES

[H][C@@]12CC3=C(C=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](NC)[C@]4([H])C2)N(C)C

InChI

InChIKey=VHFONQYXDLVJCC-ADMKQJKVSA-N
InChI=1S/C22H25N3O7/c1-24-16-10-7-8-6-9-11(25(2)3)4-5-12(26)14(9)17(27)13(8)19(29)22(10,32)20(30)15(18(16)28)21(23)31/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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:10:56 UTC 2023
Edited
by admin
on Thu Jul 06 15:10:56 UTC 2023
Record UNII
4GBI90K88M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N4-DEMETHYLMINOCYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 7-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-4-(METHYLAMINO)-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,12A.ALPHA.))-
Systematic Name English
Code System Code Type Description
CAS
81888-43-9
Created by admin on Thu Jul 06 15:10:56 UTC 2023 , Edited by admin on Thu Jul 06 15:10:56 UTC 2023
PRIMARY
PUBCHEM
91810539
Created by admin on Thu Jul 06 15:10:56 UTC 2023 , Edited by admin on Thu Jul 06 15:10:56 UTC 2023
PRIMARY
FDA UNII
4GBI90K88M
Created by admin on Thu Jul 06 15:10:56 UTC 2023 , Edited by admin on Thu Jul 06 15:10:56 UTC 2023
PRIMARY
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