C-CURARINE I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H44N4O
Molecular Weight	596.8036
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@H]3C4=CN5C6=C(C=CC=C6)[C@]78CC[N@@+]9(C)C\C(=C\C)[C@H](C[C@@]79[H])C%10=CN%11C%12=C(C=CC=C%12)[C@@]1(CC[N@@+]2(C)C\C3=C\C)[C@]4%11O[C@@]58%10

InChI

InChIKey=DWELRYDMYVJVSL-TUHIATKQSA-N

InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H44N4O
Molecular Weight	596.8036
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	8 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:19:24 GMT 2023` Edited by `admin` on `Sat Dec 16 09:19:24 GMT 2023`
Record UNII	H84W1ZC95F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C-CURARINE I

Common Name

English

C-CURARINE

Common Name

English

10H,21H-19A,20B-EPOXY-1,21:10,12-DIETHANO-19AH,20BH-DIPYRROLO(3,2-F:3',2'-F')(1,5)DIAZOCINO(3,2,1-JK:7,6,5-J'K')DICARBAZOLIUM, 23,27-DIETHYLIDENE-2,3,11,11A,13,14,22,22A-OCTAHYDRO-1,12-DIMETHYL-, (1S,3AR,10S,11AS,12S,14AR,19AR,20BR,21S,22AS,23E,27E)-

Common Name

English

TOXIFERINE I, 18,18'-DIDEOXY-2,2'-EPOXY-

Common Name

English

C-CURARINE I [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m3932