CI-949 ARGINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20N6O3.C6H14N4O2
Molecular Weight	566.6122
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H](CCCNC(N)=N)C(O)=O.COC1=CC2=C(C=C1)N(C(C(=O)NC3=NN=NN3)=C2OC(C)C)C4=CC=CC=C4

InChI

InChIKey=OHOCQQJBKBVAFF-VWMHFEHESA-N

InChI=1S/C20H20N6O3.C6H14N4O2/c1-12(2)29-18-15-11-14(28-3)9-10-16(15)26(13-7-5-4-6-8-13)17(18)19(27)21-20-22-24-25-23-20;7-4(5(11)12)2-1-3-10-6(8)9/h4-12H,1-3H3,(H2,21,22,23,24,25,27);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C20H20N6O3
Molecular Weight	392.4112
Charge	0
Count

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

Molecular Formula	C6H14N4O2
Molecular Weight	174.201
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 15:07:49 GMT 2023` Edited by `admin` on `Fri Dec 15 15:07:49 GMT 2023`
Record UNII	EM1J51043X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CI-949 ARGINATE

Code

English

5-METHOXY-3-(1-METHYLETHOXY)-1-PHENYL-N-1H-TETRAZOL-5-YL-1H-INDOLE-2-CARBOXAMIDE ARGININE

Systematic Name

English

L-ARGININE, COMPD. WITH 5-METHOXY-3-(1-METHYLETHOXY)-1-PHENYL-N-2H-TETRAZOL-5-YL-1H-INDOLE-2-CARBOXAMIDE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90923850