.BETA.-ERGOCRYPTAM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H41N5O4
Molecular Weight	559.699
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@H]2CN(C)[C@@H]3CC4=CNC5=CC=CC(=C45)C3=C2)C(C)C)C(=O)[C@H]6CCCN6C1=O

InChI

InChIKey=HKVSEIVDIONNKB-CLWGGANZSA-N

InChI=1S/C32H41N5O4/c1-6-18(4)28-32(41)36-12-8-11-24(36)30(39)37(28)31(40)27(17(2)3)34-29(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27-28,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25+,27-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-ERGOKRYPTAM

Preferred Name

English

.BETA.-ERGOCRYPTAM

Common Name

English

N-(LYSERGYL-VALYL)-CYCLO(ISOLEUCYL-D-PROLYL)

Common Name

English

1',12'-SECOERGOTAMAN-3',6',12',18-TETRONE, 2'-DEOXY-2'-(1-METHYLETHYL)-5'-(1-METHYLPROPYL)-, (2'S,5'.ALPHA.(S),11'.ALPHA.)-

Systematic Name

English

ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-1-(((3S,8AR)-HEXAHYDRO-3-((1S)-1-METHYLPROPYL)-1,4-DIOXOINDOLO(4,3-FG)QUINOLIN-2(1H)-YL)CARBONYL)-2-METHYLPROPYL)-6-METHYL-, (8.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

122200875

Created by admin on Mon Mar 31 23:15:18 GMT 2025 , Edited by admin on Mon Mar 31 23:15:18 GMT 2025

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FDA UNII

N0U94IVM3W

Created by admin on Mon Mar 31 23:15:18 GMT 2025 , Edited by admin on Mon Mar 31 23:15:18 GMT 2025

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EPA CompTox

DTXSID40913948

Created by admin on Mon Mar 31 23:15:18 GMT 2025 , Edited by admin on Mon Mar 31 23:15:18 GMT 2025

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CAS

97387-94-5

Created by admin on Mon Mar 31 23:15:18 GMT 2025 , Edited by admin on Mon Mar 31 23:15:18 GMT 2025

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SUBSTANCE RECORD


					N0U94IVM3W

.BETA.-ERGOCRYPTAM