OXYTETRACYCLINE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H23N2O9.Ca
Molecular Weight	958.93
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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.[H][C@@]56[C@@H](O)[C@@]7([H])C(C(=O)C8=C([O-])C=CC=C8[C@@]7(C)O)=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@H]6N(C)C

InChI

InChIKey=KIPLYOUQVMMOHB-MXWBXKMOSA-L

InChI=1S/2C22H24N2O9.Ca/c2*1-21(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;/h2*4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*12-,13-,14+,17+,21-,22+;/m11./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	C22H23N2O9
Molecular Weight	459.426
Charge	-1
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 `Fri Dec 15 15:18:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:18:27 UTC 2023`
Record UNII	C8MRZ07FDV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXYTETRACYCLINE CALCIUM

Common Name

English

4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide calcium salt

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, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-

Common Name

English

CALCIUM DIOXYTETRACYCLINE

Common Name

English

OXYTETRACYCLINE CALCIUM [USP IMPURITY]

Common Name

English

Oxytetracycline calcium [WHO-DD]

Common Name

English

OXYTETRACYCLINE CALCIUM [ORANGE BOOK]

Common Name

English

OXYTETRACYCLINE HEMICALCIUM

Common Name

English

OXYTETRACYCLINE CALCIUM [MART.]

Common Name

English

OXYTETRACYCLINE CALCIUM [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1595