SM-130686

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23ClF3N3O3.ClH
Molecular Weight	506.345
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCN(CC)CCN1C(=O)[C@](O)(C2=C(C=C(C=C12)C(N)=O)C(F)(F)F)C3=C(Cl)C=CC=C3

InChI

InChIKey=RRHATDIHSDLAOM-ZMBIFBSDSA-N

InChI=1S/C22H23ClF3N3O3.ClH/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23;/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30);1H/t21-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C22H23ClF3N3O3
Molecular Weight	469.885
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 11:38:06 GMT 2023` Edited by `admin` on `Sat Dec 16 11:38:06 GMT 2023`
Record UNII	0O6YU0G147
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SM-130686

Common Name

English

SM-130,686

Code

English

1H-INDOLE-6-CARBOXAMIDE, 3-(2-CHLOROPHENYL)-1-(2-(DIETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDE, (3S)-

Systematic Name

English

1H-INDOLE-6-CARBOXAMIDE, 3-(2-CHLOROPHENYL)-1-(2-(DIETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1), (3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

0O6YU0G147

Created by admin on Sat Dec 16 11:38:06 GMT 2023 , Edited by admin on Sat Dec 16 11:38:06 GMT 2023

PRIMARY

CAS

259667-25-9

Created by admin on Sat Dec 16 11:38:06 GMT 2023 , Edited by admin on Sat Dec 16 11:38:06 GMT 2023

PRIMARY

PUBCHEM

9914145

Created by admin on Sat Dec 16 11:38:06 GMT 2023 , Edited by admin on Sat Dec 16 11:38:06 GMT 2023

PRIMARY

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