N4-DEMETHYLMINOCYCLINE

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 Search

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 `Sat Dec 16 09:40:29 UTC 2023` Edited by `admin` on `Sat Dec 16 09:40:29 UTC 2023`
Record UNII	4GBI90K88M
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 09:40:29 UTC 2023 , Edited by admin on Sat Dec 16 09:40:29 UTC 2023

PRIMARY

PUBCHEM

91810539

Created by admin on Sat Dec 16 09:40:29 UTC 2023 , Edited by admin on Sat Dec 16 09:40:29 UTC 2023

PRIMARY

FDA UNII

4GBI90K88M

Created by admin on Sat Dec 16 09:40:29 UTC 2023 , Edited by admin on Sat Dec 16 09:40:29 UTC 2023

PRIMARY

Related Record Type Details


					FYY3R43WGO

MINOCYCLINE

PARENT -> METABOLITE

Qualification:

URINE