4-EPIDEMETHYLTETRACYCLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22N2O8
Molecular Weight	430.408
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C4=C(O)C=CC=C4[C@H]2O

InChI

InChIKey=JCSGAUKCDAVARS-UUBIYHLESA-N

InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14+,15+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22N2O8
Molecular Weight	430.408
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:43:06 GMT 2023` Edited by `admin` on `Sat Dec 16 05:43:06 GMT 2023`
Record UNII	B6EUU1IGGY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-EPIDEMETHYLTETRACYCLINE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, (4R,4AS,5AS,6S,12AS)-

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,5A.BETA.,6.ALPHA.,12A.BETA.))-

Common Name

English

(4R,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE

Common Name

English

CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

B6EUU1IGGY

Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023

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CAS

129044-45-7

Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023

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PUBCHEM

71587473

Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023

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