TG-100801 HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H30ClN5O3.ClH
Molecular Weight	616.537
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C5=CC(OC(=O)C6=CC=CC=C6)=CC=C5Cl

InChI

InChIKey=VLWKPMDUDFMWBO-UHFFFAOYSA-N

InChI=1S/C33H30ClN5O3.ClH/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39;/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38);1H

HIDE SMILES / InChI

Molecular Formula	C33H30ClN5O3
Molecular Weight	580.076
Charge	0
Count

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

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:29 UTC 2023` Edited by `admin` on `Sat Dec 16 08:06:29 UTC 2023`
Record UNII	PFJ9GB4R1J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TG-100801 HYDROCHLORIDE

Common Name

English

PHENOL, 4-CHLORO-3-(5-METHYL-3-((4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)AMINO)-1,2,4-BENZOTRIAZIN-7-YL)-, 1-BENZOATE, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

PFJ9GB4R1J

Created by admin on Sat Dec 16 08:06:29 UTC 2023 , Edited by admin on Sat Dec 16 08:06:29 UTC 2023

PRIMARY

CAS

1018069-81-2

Created by admin on Sat Dec 16 08:06:29 UTC 2023 , Edited by admin on Sat Dec 16 08:06:29 UTC 2023

PRIMARY

PUBCHEM

24823568

Created by admin on Sat Dec 16 08:06:29 UTC 2023 , Edited by admin on Sat Dec 16 08:06:29 UTC 2023

PRIMARY

EPA CompTox

DTXSID40647594

Created by admin on Sat Dec 16 08:06:29 UTC 2023 , Edited by admin on Sat Dec 16 08:06:29 UTC 2023

PRIMARY

Related Record Type Details


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TG-100801

ACTIVE MOIETY