DOXYCYCLINE FOSFATEX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C22H24N2O8.Na.O3P.3HO3P
Molecular Weight	1675.2051
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].OP(=O)=O.OP(=O)=O.OP(=O)=O.[O-]P(=O)=O.[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.[H][C@@]56[C@@H](C)C7=CC=CC(O)=C7C(=O)C5=C(O)[C@]8(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]8([H])[C@H]6O.[H][C@@]9%10[C@@H](C)C%11=CC=CC(O)=C%11C(=O)C9=C(O)[C@]%12(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]%12([H])[C@H]%10O

InChI

InChIKey=ZWGYMDVTEBYKSR-QCDOITSMSA-M

InChI=1S/3C22H24N2O8.Na.4HO3P/c3*1-7-8-5-4-6-9(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;;4*1-4(2)3/h3*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;4*(H,1,2,3)/q;;;+1;;;;/p-1/t3*7-,10+,14+,15-,17-,22-;;;;;/m000...../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	HO3P
Molecular Weight	79.9799
Charge	0
Count

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

Molecular Formula	C22H24N2O8
Molecular Weight	444.4346
Charge	0
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 15:06:32 UTC 2023` Edited by `admin` on `Fri Dec 15 15:06:32 UTC 2023`
Record UNII	2IQ26U2DZQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOXYCYCLINE FOSFATEX

Official Name

English

DOXYCYCLINE FOSFATEX [USAN]

Common Name

English

DMSC

Code

English

DOXYCYCLINE FOSFATEX [MART.]

Common Name

English

AB-08

Code

English

Doxycycline fosfatex [WHO-DD]

Common Name

English

(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE, COMPOUND WITH SODIUM TRIHYDROGEN METAPHOSPHATE (H(SUB 3)NAP(SUB 4)O(SUB 12)) (3:1)

Common Name

English

AB08

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1595