OXYTETRACYCLINE MONOCALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N2O9.Ca
Molecular Weight	498.496
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OXYTETRACYCLINE MONOCALCIUM

Structure Search

SMILES

[Ca++].[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C([O-])C=CC=C4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C

InChI

InChIKey=QJHKFWPAQRFQBG-IFLJXUKPSA-L

InChI=1S/C22H24N2O9.Ca/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C22H22N2O9
Molecular Weight	458.4181
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:10:51 UTC 2023` Edited by `admin` on `Sat Dec 16 09:10:51 UTC 2023`
Record UNII	M90SJ24J2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXYTETRACYCLINE MONOCALCIUM

Common Name

English

EPA PESTICIDE CHEMICAL CODE 006321

Code

English

D05322

Code

English

CALCIUM (5S,5AR,6S,6AR,7S,10AR)-9-CARBAMOYL-7-(DIMETHYLAMINO)-5,6,10,10A-TETRAHYDROXY-5-METHYL-8,11-DIOXO-5A,6,6A,7-TETRAHYDROTETRACENE-1,12-DIOLATE

Systematic Name

English

J252.983A

Code

English

CALCIUM OXYTETRACYCLINE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-1,11-DIOXO-, CALCIUM SALT (1:1), (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-

Systematic Name

English

OXYTETRACYCLINE CALCIUM (1:1)

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-1,11-DIOXO-, CALCIUM SALT (1:1), (4S,4AR,5S,5AR,6S,12AS)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

230-540-4