U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H41N5O5
Molecular Weight 611.7305
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROERGOCRISTINE

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CNC8=C7C(=CC=C8)[C@@]6([H])C5)(O[C@@]24O)C(C)C

InChI

InChIKey=DEQITUUQPICUMR-HJPBWRTMSA-N
InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIHYDROERGOCRISTINE
VANDF   WHO-DD  
Common Name English
Dihydroergocristine [WHO-DD]
Common Name English
GNF-PF-3462
Code English
DIHYDROERGOCRISTINE [VANDF]
Common Name English
EROTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(PHENYLMETHYL)-, (5'ALPHA,10ALPHA)-
Common Name English
9,10-DIHYDROERGOCRISTINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
WHO-ATC C04AE04
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
WHO-VATC QC04AE04
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
WHO-VATC QC04AE54
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
WHO-ATC C04AE54
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
NCI_THESAURUS C29713
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
Code System Code Type Description
DRUG CENTRAL
887
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
CAS
17479-19-5
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
CHEBI
59912
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL601773
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
PUBCHEM
107715
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
DAILYMED
05D48LUM4Z
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
WIKIPEDIA
Dihydroergocristine
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
DRUG BANK
DB13345
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
EVMPD
SUB13586MIG
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
NCI_THESAURUS
C75938
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
RXCUI
3416
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID3046322
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
SMS_ID
100000079199
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
241-493-4
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY
FDA UNII
05D48LUM4Z
Created by admin on Fri Dec 15 15:43:16 UTC 2023 , Edited by admin on Fri Dec 15 15:43:16 UTC 2023
PRIMARY