TR-2 TOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27N3O6
Molecular Weight	429.4663
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1)C3=C(N2)[C@H](CC(C)(C)O)N4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@H]3O

InChI

InChIKey=PIWNJAZCHHBADQ-MECALSEWSA-N

InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H27N3O6
Molecular Weight	429.4663
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:54:41 GMT 2025` Edited by `admin` on `Mon Mar 31 19:54:41 GMT 2025`
Record UNII	RTC582PPE3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-353637

Preferred Name

English

TR-2 TOXIN

Common Name

English

5H,14H-Pyrrolo[1??,2??:4?,5?]pyrazino[1?,2?:1,6]pyrido[3,4-b]indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, (5aR,6S,12S,14aS)-

Systematic Name

English

Verruculogen TR-2

Common Name

English

Code System Code Type Description

CAS

51177-07-2