DOXYCYCLINE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O8.2Ca
Molecular Weight	524.591
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	4

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[Ca++].[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O

InChI

InChIKey=IYECPECUTCOMMD-QFWOMMJSSA-N

InChI=1S/C22H24N2O8.2Ca/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;/q;2*+2/t7-,10+,14+,15-,17-,22-;;/m0../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	C22H20N2O8
Molecular Weight	440.4028
Charge	-4
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 16:19:36 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:36 UTC 2023`
Record UNII	8ZL07I20SB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOXYCYCLINE CALCIUM

Common Name

English

DOXYCYCLINE CALCIUM [ORANGE BOOK]

Common Name

English

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

Common Name

English

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

Common Name

English

DOXYCYCLINE CALCIUM [USP IMPURITY]

Common Name

English

DOXYCYCLINE CALCIUM [MART.]

Common Name

English

Doxycycline calcium [WHO-DD]

Common Name

English

DOXYCYCLINE CALCIUM [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1595