DESOCRIPTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H45N5O4
Molecular Weight	563.7308
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C[C@]([H])([C@@H](C)CC)N3C(=O)[C@](NC(=O)[C@@]4([H])CN(C)[C@]5([H])CC6=CNC7=C6C(=CC=C7)[C@@]5([H])C4)(O[C@@]23O)C(C)C

InChI

InChIKey=OPAVODIYXVLOOM-MXBMDEFOSA-N

InChI=1S/C32H45N5O4/c1-6-19(4)26-17-36-12-8-11-27(36)32(40)37(26)30(39)31(41-32,18(2)3)34-29(38)21-13-23-22-9-7-10-24-28(22)20(15-33-24)14-25(23)35(5)16-21/h7,9-10,15,18-19,21,23,25-27,33,40H,6,8,11-14,16-17H2,1-5H3,(H,34,38)/t19-,21+,23+,25+,26+,27-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H45N5O4
Molecular Weight	563.7308
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:17:10 UTC 2023` Edited by `admin` on `Fri Dec 15 17:17:10 UTC 2023`
Record UNII	62P526DC98
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESOCRIPTINE

Official Name

English

desocriptine [INN]

Common Name

English

6'-DEOXO-9,10.ALPHA.-DIHYDRO-.BETA.-ERGOCRYPTINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C221