OXYACANTHINE DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H40N2O6.2ClH
Molecular Weight	681.645
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OXYACANTHINE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.COC1=CC2=C3[C@H](CC4=CC=C(OC5=C(O)C=CC(C[C@H]6N(C)CCC7=CC(OC)=C(OC3=C1OC)C=C67)=C5)C=C4)N(C)CC2

InChI

InChIKey=CJTFLIHOOZSHBJ-WIFSAEPPSA-N

InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;2*1H/t28-,29+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C37H40N2O6
Molecular Weight	608.7233
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Mon Mar 31 21:29:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:29:58 GMT 2025`
Record UNII	U1V1Y0HA2I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXYACANTHINE DIHYDROCHLORIDE

Common Name

English

OXYACANTHINE DIHYDROCHLORIDE [MI]

Preferred Name

English

OXYACANTHINE, DIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

U1V1Y0HA2I