AMINOPYRINE BUTYLCHLORAL HYDRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H17N3O.C4H7Cl3O2
Molecular Weight	424.75
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMINOPYRINE BUTYLCHLORAL HYDRATE

Structure Search

SMILES

CC(Cl)C(Cl)(Cl)C(O)O.CN(C)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2

InChI

InChIKey=WJSLIOCJBDDBGK-UHFFFAOYSA-N

InChI=1S/C13H17N3O.C4H7Cl3O2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2(5)4(6,7)3(8)9/h5-9H,1-4H3;2-3,8-9H,1H3

HIDE SMILES / InChI

Molecular Formula	C4H7Cl3O2
Molecular Weight	193.456
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C13H17N3O
Molecular Weight	231.2936
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 `Mon Mar 31 21:57:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:02 GMT 2025`
Record UNII	144H3679JY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASCIATINE

Preferred Name

English

AMINOPYRINE BUTYLCHLORAL HYDRATE

Common Name

English

ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLOROBUTYRALDEHYDE HYDRATE (1:1)

Systematic Name

English

ANTIPYRINE, 4-(DIMETHYLAMINO)-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)

Common Name

English

TRIGEMIN

Brand Name

English

1,1-BUTANEDIOL, 2,2,3-TRICHLORO-, COMPD. WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)

Systematic Name

English

3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, COMPD. WITH 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)

Systematic Name

English

BUTYLCHLORALAMINOPYRINE

Common Name

English

4-(DIMETHYLAMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE - 2,2,3-TRICHLORO-1,1-BUTANEDIOL (1:1)

Systematic Name

English

Code System Code Type Description

CAS

3963-81-3