SSR-69071 MONOBENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H32N4O7S.C7H6O2
Molecular Weight	678.752
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.COC2=CC(C(C)C)=C3C(=O)N(COC4=CC(=O)N5C=CC=C(OCCN6CCCCC6)C5=N4)S(=O)(=O)C3=C2

InChI

InChIKey=ZPEDNKCQWGYCSH-UHFFFAOYSA-N

InChI=1S/C27H32N4O7S.C7H6O2/c1-18(2)20-14-19(36-3)15-22-25(20)27(33)31(39(22,34)35)17-38-23-16-24(32)30-11-7-8-21(26(30)28-23)37-13-12-29-9-5-4-6-10-29;8-7(9)6-4-2-1-3-5-6/h7-8,11,14-16,18H,4-6,9-10,12-13,17H2,1-3H3;1-5H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

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

Molecular Formula	C27H32N4O7S
Molecular Weight	556.631
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neutrophil elastase 5 Target ID: P08246 Gene ID: 1991.0 Gene Symbol: ELANE Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12606659	Inhibitor 8297		0.0168 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:41:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:41:48 GMT 2023`
Record UNII	Z5P9KR3FZU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SSR-69071 MONOBENZOATE

Common Name

English

BENZOIC ACID; 4-ISOPROPYL-6-METHOXY-1,1-DIOXO-2-((4-OXO-9-(2-(1-PIPERIDYL)ETHOXY)PYRIDO(1,2-A)PYRIMIDIN-2-YL)OXYMETHYL)-1,2-BENZOTHIAZOL-3-ONE

Systematic Name

English

4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 2-((6-METHOXY-4-(1-METHYLETHYL)-1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHOXY)-9-(2-(1-PIPERIDINYL)ETHOXY)-, BENZOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

Z5P9KR3FZU

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

PUBCHEM

10146544

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

CAS

344930-98-9

Created by admin on Sat Dec 16 11:41:48 GMT 2023 , Edited by admin on Sat Dec 16 11:41:48 GMT 2023

PRIMARY

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Comments:

Sanofi-Synthlabo (Originator), Chinoin (Code dvelopment); Chronic Obstructive Pulmonary Diseases (COPD); Treatment of, Respiratory Distress Syndrome, Agents for, RESPIRATORY DRUGS, Leukocyte Elastase Inhibitors; Discontinued

Amount:

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