TETRACYCLINE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H23N2O8.Ca
Molecular Weight	926.931
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(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@@]56C[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=YRWAXQICRNVKCJ-RTXWEIJPSA-L

InChI=1S/2C22H24N2O8.Ca/c2*1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h2*4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);/q;;+2/p-2/t2*9-,10-,15-,21+,22-;/m00./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	C22H23N2O8
Molecular Weight	443.4266
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:01:06 UTC 2023` Edited by `admin` on `Fri Dec 15 19:01:06 UTC 2023`
Record UNII	9ON2SH59JS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRACYCLINE CALCIUM

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 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-TETRACYCLINE COMPLEX

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 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,4AS,5AS,6S,12AS)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1595