JTT-010

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19N3O2.CH4O3S
Molecular Weight	453.511
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.NC[C@@H]1CN2C(C1)=C(C3=C2C=CC=C3)C4=C(C(=O)NC4=O)C5=CC=CC=C5

InChI

InChIKey=KRDZHKRBOOXUIR-BTQNPOSSSA-N

InChI=1S/C22H19N3O2.CH4O3S/c23-11-13-10-17-19(15-8-4-5-9-16(15)25(17)12-13)20-18(21(26)24-22(20)27)14-6-2-1-3-7-14;1-5(2,3)4/h1-9,13H,10-12,23H2,(H,24,26,27);1H3,(H,2,3,4)/t13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C22H19N3O2
Molecular Weight	357.4052
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:42:13 GMT 2023` Edited by `admin` on `Sat Dec 16 08:42:13 GMT 2023`
Record UNII	FU44719P6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JTT-010

Common Name

English

1H-PYRROLE-2,5-DIONE, 3-((2R)-2-(AMINOMETHYL)-2,3-DIHYDRO-1H-PYRROLO(1,2-A)INDOL-9-YL)-4-PHENYL-, METHANESULFONATE (1:1)

Systematic Name

English

1H-PYRROLE-2,5-DIONE, 3-((2R)-2-(AMINOMETHYL)-2,3-DIHYDRO-1H-PYRROLO(1,2-A)INDOL-9-YL)-4-PHENYL-, MONOMETHANESULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

FU44719P6T

Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023

PRIMARY

CAS

872422-30-5

Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023

PRIMARY

PUBCHEM

72710776

Created by admin on Sat Dec 16 08:42:13 GMT 2023 , Edited by admin on Sat Dec 16 08:42:13 GMT 2023

PRIMARY

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