ERGOCRISTAM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H39N5O4
Molecular Weight	593.7153
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N(C(=O)[C@@H](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=C6C(=CC=C7)C5=C4)C(C)C)C2=O

InChI

InChIKey=KMDKLWZQLMBIBS-HVWSGMRBSA-N

InChI=1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H39N5O4
Molecular Weight	593.7153
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:18:35 GMT 2023` Edited by `admin` on `Sat Dec 16 12:18:35 GMT 2023`
Record UNII	T9076AU4K7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOCRISTAM

Common Name

English

(8.BETA.)-9,10-DIDEHYDRO-N-((1S)-1-(((3S,8AR)-HEXAHYDRO-1,4-DIOXO-3-(PHENYLMETHYL)PYRROLO(1,2-A)PYRAZIN-2(3H)-YL)CARBONYL)-2-METHYLPROPYL)-6-METHYLERGOLINE-8-CARBOXAMIDE

Systematic Name

English

ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-1-(((3S,8AR)-HEXAHYDRO-1,4-DIOXO-3-(PHENYLMETHYL)PYRROLO(1,2-A)PYRAZIN-2(3H)-YL)CARBONYL)-2-METHYLPROPYL)-6-METHYL-, (8.BETA.)-

Systematic Name

English

N-(N-(D-LYSERGYL-L-VALYL)-L-PHENYLALANYL-D-PROLINE LACTAM

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70893269

Created by admin on Sat Dec 16 12:18:35 GMT 2023 , Edited by admin on Sat Dec 16 12:18:35 GMT 2023

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PUBCHEM

101428704

Created by admin on Sat Dec 16 12:18:35 GMT 2023 , Edited by admin on Sat Dec 16 12:18:35 GMT 2023

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CAS

50868-53-6

Created by admin on Sat Dec 16 12:18:35 GMT 2023 , Edited by admin on Sat Dec 16 12:18:35 GMT 2023

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FDA UNII

T9076AU4K7

Created by admin on Sat Dec 16 12:18:35 GMT 2023 , Edited by admin on Sat Dec 16 12:18:35 GMT 2023

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