PYRIDOMYCIN DIHYDROCHLORIDE TRIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32N4O8.2ClH.3H2O
Molecular Weight	667.533
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PYRIDOMYCIN DIHYDROCHLORIDE TRIHYDRATE

Structure Search

SMILES

O.O.O.Cl.Cl.CC\C(C)=C1/OC(=O)[C@H](C)[C@H](O)[C@H](CC2=CN=CC=C2)NC(=O)[C@@H](NC(=O)C3=C(O)C=CC=N3)[C@@H](C)OC1=O

InChI

InChIKey=QAVJGOBDOYLMTQ-UFPJFJPLSA-N

InChI=1S/C27H32N4O8.2ClH.3H2O/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23;;;;;/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35);2*1H;3*1H2/b23-14-;;;;;/t15-,16-,18+,20+,22+;;;;;/m1...../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C27H32N4O8
Molecular Weight	540.565
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.	2012 Oct	22987724
Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.	2013 Nov 14	24107081

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:55 GMT 2023` Edited by `admin` on `Sat Dec 16 01:46:55 GMT 2023`
Record UNII	L59JN0WVNJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRIDOMYCIN DIHYDROCHLORIDE TRIHYDRATE

Common Name

English

N-((5R,6S,9S,10S,11R,Z)-2-(BUTAN-2-YLIDENE)-10-HYDROXY-5,11-DIMETHYL-3,7,12-TRIOXO-9-(PYRIDIN-3-YLMETHYL)-1,4-DIOXA-8-AZACYCLODODECAN-6-YL)-3-HYDROXYPICOLINAMIDE DIHYDROCHLORIDE TRIHYDRATE

Common Name

English

PYRIDOMYCIN HYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m9359

Created by admin on Sat Dec 16 01:46:55 GMT 2023 , Edited by admin on Sat Dec 16 01:46:55 GMT 2023

PRIMARY

Merck Index

FDA UNII

L59JN0WVNJ

Created by admin on Sat Dec 16 01:46:55 GMT 2023 , Edited by admin on Sat Dec 16 01:46:55 GMT 2023

PRIMARY

PUBCHEM

90478724

Created by admin on Sat Dec 16 01:46:55 GMT 2023 , Edited by admin on Sat Dec 16 01:46:55 GMT 2023

PRIMARY

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PYRIDOMYCIN

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