ALNIDITAN DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H26N4O.2ClH
Molecular Weight	375.336
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.C(CNC[C@H]1CCC2=C(O1)C=CC=C2)CNC3=NCCCN3

InChI

InChIKey=GDNITZYKOOTAFK-QCUBGVIVSA-N

InChI=1S/C17H26N4O.2ClH/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17;;/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21);2*1H/t15-;;/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	C17H26N4O
Molecular Weight	302.4145
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 `Fri Dec 15 16:36:29 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:29 UTC 2023`
Record UNII	54PE58MGKB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALNIDITAN DIHYDROCHLORIDE

Official Name

English

1,3-PROPANEDIAMINE, N1-(((2R)-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL)-N3-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

R-91274

Code

English

(-)-2-((3-(((R)-2-CHROMANYLMETHYL)AMINO)PROPYL)AMINO)-1,4,5,6-TETRAHYDROPYRIMIDINE DIHYDROCHLORIDE

Systematic Name

English

ALNIDITAN DIHYDROCHLORIDE [USAN]

Common Name

English

1,3-PROPANEDIAMINE, N-((3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL)-N'-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)-, DIHYDROCHLORIDE, (R)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794