BMS-181101 DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H24FN5O.2ClH
Molecular Weight	442.358
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COC1=C(N=CN=C1)N2CCN(CCCC3=CNC4=C3C=C(F)C=C4)CC2

InChI

InChIKey=FSZXJSRMZRCZOD-UHFFFAOYSA-N

InChI=1S/C20H24FN5O.2ClH/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18;;/h4-5,11-14,23H,2-3,6-10H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula	C20H24FN5O
Molecular Weight	369.4359
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 15:30:28 UTC 2023` Edited by `admin` on `Sat Dec 16 15:30:28 UTC 2023`
Record UNII	K6PLZ2RJU5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-181101 DIHYDROCHLORIDE

Common Name

English

5-FLUORO-3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-1H-INDOLE DIHYDROCHLORIDE

Systematic Name

English

1H-INDOLE, 5-FLUORO-3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

1H-INDOLE, 5-FLUORO-3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-, DIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

K6PLZ2RJU5

Created by admin on Sat Dec 16 15:30:28 UTC 2023 , Edited by admin on Sat Dec 16 15:30:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID40163380

Created by admin on Sat Dec 16 15:30:28 UTC 2023 , Edited by admin on Sat Dec 16 15:30:28 UTC 2023

PRIMARY

CAS

146479-45-0

Created by admin on Sat Dec 16 15:30:28 UTC 2023 , Edited by admin on Sat Dec 16 15:30:28 UTC 2023

PRIMARY

PUBCHEM

177835

Created by admin on Sat Dec 16 15:30:28 UTC 2023 , Edited by admin on Sat Dec 16 15:30:28 UTC 2023

PRIMARY

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BMS-181101

PARENT -> SALT/SOLVATE