CLESACOSTAT TROMETHAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30N4O5.C4H11NO3
Molecular Weight	623.6966
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(CO)(CO)CO.COC1=CC(=CC(=N1)C2=CC=C(C=C2)C(O)=O)C(=O)N3CCC4(CC3)CC5=C(N(N=C5)C(C)C)C(=O)C4

InChI

InChIKey=XFSXWQKSSSEPDH-UHFFFAOYSA-N

InChI=1S/C28H30N4O5.C4H11NO3/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36;5-4(1-6,2-7)3-8/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36);6-8H,1-3,5H2

HIDE SMILES / InChI

Molecular Formula	C4H11NO3
Molecular Weight	121.135
Charge	0
Count

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

Molecular Formula	C28H30N4O5
Molecular Weight	502.5616
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:05:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:05:03 GMT 2023`
Record UNII	QF09CQF4SR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLESACOSTAT TROMETHAMINE

Official Name

English

4-(4-(1-ISOPROPYL-7-OXO-1,4,6,7-TETRAHYDROSPIRO(INDAZOLE-5,4'-PIPERIDINE)-1'-CARBONYL)-6-METHOXYPYRIDIN-2-YL)BENZOIC ACID TRIS(HYDROXYMETHYL)AMINOMETHANE SALT (1:1)

Systematic Name

English

PF-05221304 TROMETHAMINE

Code

English

4-(6-METHOXY-4-(7-OXO-1-(PROPAN-2-YL)-1,4,6,7-TETRAHYDROSPIRO(INDAZOLE-5,4'- PIPERIDINE)-1'-CARBONYL)PYRIDIN-2-YL)BENZOIC ACID, (1:1) SALT WITH 2-AMINO-2- (HYDROXYMETHYL)PROPANE-1,3-DIOL

Systematic Name

English

CLESACOSTAT TROMETHAMINE [USAN]

Common Name

English

Code System Code Type Description

SMS_ID

300000028886