KR-31831

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27ClN4O4
Molecular Weight	458.938
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(OC)[C@]1(C)OC2=CC=C(N)C=C2[C@@H]([C@H]1O)N(CC3=NC=CN3)C4=CC=C(Cl)C=C4

InChI

InChIKey=XPQNJJQQAZIHMI-QZNHQXDQSA-N

InChI=1S/C23H27ClN4O4/c1-23(22(30-2)31-3)21(29)20(17-12-15(25)6-9-18(17)32-23)28(13-19-26-10-11-27-19)16-7-4-14(24)5-8-16/h4-12,20-22,29H,13,25H2,1-3H3,(H,26,27)/t20-,21+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27ClN4O4
Molecular Weight	458.938
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:56 UTC 2023` Edited by `admin` on `Sat Dec 16 09:33:56 UTC 2023`
Record UNII	JWF2N75YQJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KR-31831

Code

English

2H-1-BENZOPYRAN-3-OL, 6-AMINO-4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-2-(DIMETHOXYMETHYL)-3,4-DIHYDRO-2-METHYL-, (2R,3R,4S)-

Systematic Name

English

KR31831

Code

English

(2R,3R,4S)-6-AMINO-4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-2-(DIMETHOXYMETHYL)-3,4-DIHYDRO-2-METHYL-2H-1-BENZOPYRAN-3-OL

Systematic Name

English

Code System Code Type Description

CAS

571141-49-6

Created by admin on Sat Dec 16 09:33:56 UTC 2023 , Edited by admin on Sat Dec 16 09:33:56 UTC 2023

PRIMARY

PUBCHEM

10434320

Created by admin on Sat Dec 16 09:33:56 UTC 2023 , Edited by admin on Sat Dec 16 09:33:56 UTC 2023

PRIMARY

FDA UNII

JWF2N75YQJ

Created by admin on Sat Dec 16 09:33:56 UTC 2023 , Edited by admin on Sat Dec 16 09:33:56 UTC 2023

PRIMARY

Related Record Type Details


					JWF2N75YQJ

KR-31831

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