Anhydrochlortetracycline hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H21ClN2O7.ClH
Molecular Weight	497.325
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Anhydrochlortetracycline hydrochloride

Structure Search

SMILES

Cl.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=WIOSVFADOBZUQR-DTTSPEASSA-N

InChI=1S/C22H21ClN2O7.ClH/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);1H/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

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 17:31:16 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:16 GMT 2025`
Record UNII	DBT5FQF96L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Anhydrochlortetracycline hydrochloride

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-, hydrochloride (1:1), (4S,4aS,12aS)-

Preferred 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-, monohydrochloride

Systematic 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-, monohydrochloride, [4S-(4?,4a?,12a?)]

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20716136

Created by admin on Wed Apr 02 17:31:16 GMT 2025 , Edited by admin on Wed Apr 02 17:31:16 GMT 2025

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FDA UNII

DBT5FQF96L

Created by admin on Wed Apr 02 17:31:16 GMT 2025 , Edited by admin on Wed Apr 02 17:31:16 GMT 2025

PRIMARY

CAS

65490-24-6

Created by admin on Wed Apr 02 17:31:16 GMT 2025 , Edited by admin on Wed Apr 02 17:31:16 GMT 2025

PRIMARY

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