DOXYCYCLINE 5-GUAIACOLSULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O8.C7H8O5S
Molecular Weight	648.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOXYCYCLINE 5-GUAIACOLSULFONATE

Structure Search

SMILES

COC1=CC=C(C=C1O)S(O)(=O)=O.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=C(O)C=CC=C25

InChI

InChIKey=YDPWIEPRBQMXQC-CVHRZJFOSA-N

InChI=1S/C22H24N2O8.C7H8O5S/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;1-12-7-3-2-5(4-6(7)8)13(9,10)11/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);2-4,8H,1H3,(H,9,10,11)/t7-,10+,14+,15-,17-,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O5S
Molecular Weight	204.2
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 `Wed Apr 02 13:52:11 GMT 2025` Edited by `admin` on `Wed Apr 02 13:52:11 GMT 2025`
Record UNII	TCM2489R27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOXYCYCLINE 5-GUAIACOLSULFONATE

Preferred Name

English

Code System Code Type Description

PUBCHEM

71555368

Created by admin on Wed Apr 02 13:52:11 GMT 2025 , Edited by admin on Wed Apr 02 13:52:11 GMT 2025

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CAS

56608-93-6

Created by admin on Wed Apr 02 13:52:11 GMT 2025 , Edited by admin on Wed Apr 02 13:52:11 GMT 2025

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FDA UNII

TCM2489R27

Created by admin on Wed Apr 02 13:52:11 GMT 2025 , Edited by admin on Wed Apr 02 13:52:11 GMT 2025

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