CHLORTETRACYCLINE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H22ClN2O8.Ca
Molecular Weight	995.821
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(C(Cl)=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C.[H][C@@]56C[C@@]7([H])C(C(=O)C8=C(C(Cl)=CC=C8O)[C@@]7(C)O)=C(O)[C@]5(O)C(=O)C(C(N)=O)=C([O-])[C@H]6N(C)C

InChI

InChIKey=BRXWPGYMDYZZNU-NAUDNZITSA-L

InChI=1S/2C22H23ClN2O8.Ca/c2*1-21(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;/h2*4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);/q;;+2/p-2/t2*7-,8-,15-,21-,22-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C22H22ClN2O8
Molecular Weight	477.872
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:35:49 UTC 2023` Edited by `admin` on `Fri Dec 15 17:35:49 UTC 2023`
Record UNII	NR4B2SX17S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLORTETRACYCLINE CALCIUM

Common Name

English

7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE CALCIUM SALT

Common Name

English

CALCIUM CHLORTETRACYCLINE

Common Name

English

CHLORTETRACYCLINE CALCIUM COMPLEX [GREEN BOOK]

Common 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-, CALCIUM SALT (2:1), (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-

Systematic Name

English

CALCIUM-CHLORTETRACYCLINE COMPLEX

Common Name

English

CHLOROTETRACYCLINE CALCIUM SALT

Common Name

English

CHLORTETRACYCLINE CALCIUM COMPLEX

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1595