4-Epichlortetracycline hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23ClN2O8.ClH
Molecular Weight	515.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Epichlortetracycline hydrochloride

Structure Search

SMILES

Cl.CN(C)[C@@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(O)C=CC(Cl)=C4[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O

InChI

InChIKey=CBHYYLPALVVVEY-QNUQNERCSA-N

InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H23ClN2O8
Molecular Weight	478.88
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:23:31 GMT 2025` Edited by `admin` on `Wed Apr 02 17:23:31 GMT 2025`
Record UNII	EA87X68ELD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4r,4as,5as,6s,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

Preferred Name

English

4-Epichlortetracycline hydrochloride

Common Name

English

7-chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide hydrochloride

Systematic Name

English

2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4R,4aS,5aS,6S,12aS)-

Systematic Name

English

2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-

Systematic Name

English

2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4R-(4?,4a?,5a?,6?,12a?)]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

54710414

Created by admin on Wed Apr 02 17:23:31 GMT 2025 , Edited by admin on Wed Apr 02 17:23:31 GMT 2025

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FDA UNII

EA87X68ELD

Created by admin on Wed Apr 02 17:23:31 GMT 2025 , Edited by admin on Wed Apr 02 17:23:31 GMT 2025

PRIMARY

CAS

101342-45-4

Created by admin on Wed Apr 02 17:23:31 GMT 2025 , Edited by admin on Wed Apr 02 17:23:31 GMT 2025

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EPA CompTox

DTXSID10906069

Created by admin on Wed Apr 02 17:23:31 GMT 2025 , Edited by admin on Wed Apr 02 17:23:31 GMT 2025

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4-Epichlortetracycline

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Amount: