4-EPIANHYDROCHLORTETRACYCLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H21ClN2O7
Molecular Weight	460.864
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-EPIANHYDROCHLORTETRACYCLINE

Structure Search

SMILES

CN(C)[C@@H]1[C@@H]2CC3=C(C)C4=C(C(O)=CC=C4Cl)C(O)=C3C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O

InChI

InChIKey=NICZYMKKWKYGHT-VIBFLENHSA-N

InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H21ClN2O7
Molecular Weight	460.864
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:32:34 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:34 GMT 2025`
Record UNII	35ALT456Y9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4R,4AS,12AS)-7-CHLORO-4-(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,11,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE

Preferred Name

English

4-EPIANHYDROCHLORTETRACYCLINE

Common Name

English

EPIANHYDROCHLORTETRACYCLINE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,12A.BETA.))-

Common Name

English

4-EPI-ANHYDROCHLORTETRACYCLINE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, (4R,4AS,12AS)-

Common Name

English

CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY K [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

54693279

Created by admin on Mon Mar 31 21:32:34 GMT 2025 , Edited by admin on Mon Mar 31 21:32:34 GMT 2025

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FDA UNII

35ALT456Y9

Created by admin on Mon Mar 31 21:32:34 GMT 2025 , Edited by admin on Mon Mar 31 21:32:34 GMT 2025

PRIMARY

CAS

81163-11-3

Created by admin on Mon Mar 31 21:32:34 GMT 2025 , Edited by admin on Mon Mar 31 21:32:34 GMT 2025

PRIMARY

EPA CompTox

DTXSID901016172

Created by admin on Mon Mar 31 21:32:34 GMT 2025 , Edited by admin on Mon Mar 31 21:32:34 GMT 2025

PRIMARY

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