N,N′-Diallylcaracurine V dibromide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H50N4O2.2Br
Molecular Weight	826.701
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N′-Diallylcaracurine V dibromide

Structure Search

SMILES

[Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6C7=CC=CC=C7[C@@]89CC[N@@+]%10(CC=C)CC%11=CCO[C@@]([H])(N%12C%13=CC=CC=C%13[C@@]1(CC[N@@+]2(CC=C)C4)[C@]%12([H])[C@@]35[H])[C@@]([H])([C@]68[H])[C@@]%11([H])C[C@@]9%10[H]

InChI

InChIKey=IULOHWLFKDQAPI-NONUUUOUSA-L

InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48;;/h3-14,29-30,35-42H,1-2,15-26H2;2*1H/q+2;;/p-2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47-,48-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

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

Molecular Formula	C44H50N4O2
Molecular Weight	666.8934
Charge	2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:51:42 GMT 2023` Edited by `admin` on `Sat Dec 16 19:51:42 GMT 2023`
Record UNII	SF7ZX6C24Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N′-Diallylcaracurine V dibromide

Common Name

English

10H,21H-1,23:12,27-Dimethano-9,10:20,21-bis(epoxy[2]propeno)-9H,20H-dipyrrolo[2,3-d:2′,3′-d′][1,5]diazocino[1,2,3-lm:5,6,7-l'm′]dicarbazolium, 2,3,9a,11,11a,13,14,19a,20a,20b,22,22a-dodecahydro-1,12-di-2-propen-1-yl-, bromide (1:2), (1R,3aS,9R,9a

Systematic Name

English

Code System Code Type Description

FDA UNII

SF7ZX6C24Y

Created by admin on Sat Dec 16 19:51:42 GMT 2023 , Edited by admin on Sat Dec 16 19:51:42 GMT 2023

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CAS

326894-86-4

Created by admin on Sat Dec 16 19:51:42 GMT 2023 , Edited by admin on Sat Dec 16 19:51:42 GMT 2023

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