CONODURAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H52N4O5
Molecular Weight	704.8968
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](CC)C[C@H]3C[N@@]1CCC4=C(NC5=CC(OC)=C(C=C45)[C@@]6([H])C[C@@H]7[C@@H]([C@H](CC8=C6NC9=CC=CC=C89)N(C)C\C7=C\C)C(=O)OC)[C@@]2(C3)C(=O)OC

InChI

InChIKey=IJKBITBRKHUQJS-ZQIFJCHWSA-N

InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-17-30(36(50-4)19-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24+,28+,31-,35+,37+,40+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H52N4O5
Molecular Weight	704.8968
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:14 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:14 GMT 2023`
Record UNII	6NEA5A6BQ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CONODURAMINE

Common Name

English

IBOGAMINE-18-CARBOXYLIC ACID, 13-METHOXY-12-((3.ALPHA.)-17-METHOXY-17-OXOVOBASAN-3-YL)-, METHYL ESTER

Systematic Name

English

NSC-288651

Code

English

Code System Code Type Description

PUBCHEM

165412057

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

CAS

2580-82-7

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

NSC

288651

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY

FDA UNII

6NEA5A6BQ3

Created by admin on Sat Dec 16 17:30:14 GMT 2023 , Edited by admin on Sat Dec 16 17:30:14 GMT 2023

PRIMARY