N,N?-Diallylcaracurine V

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H50N4O2
Molecular Weight	666.8934
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

C=CC[N@@+]12CC[C@@]34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N([C@@H]7OCC=C8C[N@+]9(CC=C)CC[C@@]%10%11[C@@H]9C[C@@H]8[C@@H]7[C@@H]%10N([C@@H]6OCC=C5C2)C%12=CC=CC=C%11%12)C%13=CC=CC=C4%13

InChI

InChIKey=VVZBCIOJHKFEKW-HQDQZMPWSA-N

InChI=1S/C44H50N4O2/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/q+2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47-,48-/m0/s1

HIDE SMILES / InChI

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 `Wed Apr 02 17:24:21 GMT 2025` Edited by `admin` on `Wed Apr 02 17:24:21 GMT 2025`
Record UNII	YSJ7KVZ7TU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diallylcaracurine V

Preferred Name

English

N,N?-Diallylcaracurine V

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-propenyl-, (1R,3aS,9R,9aR,10R,11aS,12R,14aS,19aS,2

Systematic Name

English

Code System Code Type Description

CAS

402475-29-0

Created by admin on Wed Apr 02 17:24:21 GMT 2025 , Edited by admin on Wed Apr 02 17:24:21 GMT 2025

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PUBCHEM

44409392

Created by admin on Wed Apr 02 17:24:21 GMT 2025 , Edited by admin on Wed Apr 02 17:24:21 GMT 2025

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FDA UNII