DOXYCYCLINE SODIUM POLYPHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	4C22H24N2O8.2Na.H6O18P6
Molecular Weight	2305.6131
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOXYCYCLINE SODIUM POLYPHOSPHATE

Structure Search

SMILES

[NaH].[NaH].OP1(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O1.C[C@@H]2[C@H]3[C@H](O)[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)C5=C2C=CC=C5O.C[C@@H]6[C@H]7[C@H](O)[C@H]8[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]8(O)C(O)=C7C(=O)C9=C6C=CC=C9O.C[C@@H]%10[C@H]%11[C@H](O)[C@H]%12[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]%12(O)C(O)=C%11C(=O)C%13=C%10C=CC=C%13O.C[C@@H]%14[C@H]%15[C@H](O)[C@H]%16[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]%16(O)C(O)=C%15C(=O)C%17=C%14C=CC=C%17O

InChI

InChIKey=NPUXZIOWOLIMSJ-FKEJRSFCSA-N

InChI=1S/4C22H24N2O8.2Na.H6O18P6.2H/c4*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;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;;/h4*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12);;/t4*7-,10+,14+,15-,17-,22-;;;;;/m0000...../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	23.99771
Charge	0
Count

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

Molecular Formula	H6O18P6
Molecular Weight	479.8794
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	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:04:27 GMT 2025` Edited by `admin` on `Tue Apr 01 21:04:27 GMT 2025`
Record UNII	ZCL646G7KJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Doxycycline sodium polyphosphate [WHO-DD]

Preferred Name

English

DOXYCYCLINE SODIUM POLYPHOSPHATE

Common Name

English

METAPHOSPHORIC ACID (H6P6O18), DISODIUM SALT, COMPD. WITH (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE (1:4)

Systematic 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-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-, COMPD. WITH METAPHOSPHORIC ACID (H6P6O16) DISODIUM SALT (4:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

54697250

Created by admin on Tue Apr 01 21:04:27 GMT 2025 , Edited by admin on Tue Apr 01 21:04:27 GMT 2025

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FDA UNII

ZCL646G7KJ

Created by admin on Tue Apr 01 21:04:27 GMT 2025 , Edited by admin on Tue Apr 01 21:04:27 GMT 2025

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CAS

57877-50-6

Created by admin on Tue Apr 01 21:04:27 GMT 2025 , Edited by admin on Tue Apr 01 21:04:27 GMT 2025

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