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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H21NO5
Molecular Weight 259.2988
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CELGOSIVIR

SMILES

[H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O

InChI

InChIKey=HTJGLYIJVSDQAE-VWNXEWBOSA-N
InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1

HIDE SMILES / InChI
Molecular Formula C12H21NO5
Molecular Weight 259.2988
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:40:23 UTC 2023
Edited
by admin
on Fri Dec 15 17:40:23 UTC 2023
Record UNII
895VG117HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CELGOSIVIR
INN   WHO-DD  
INN  
Official Name English
celgosivir [INN]
Common Name English
(1S,6S,7S,8R,8AR)-OCTAHYDRO-1,7,8-TRIHYDROXY-6-INDOLIZINYL BUTYRATE
Common Name English
Celgosivir [WHO-DD]
Common Name English
BUTANOIC ACID, OCTAHYDRO-1,7,8-TRIHYDROXY-6-INDOLIZINYL ESTER, (1S-(1.ALPHA.,6.BETA.,7.ALPHA.,8.BETA.,8A.BETA.))-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C281
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
NCI_THESAURUS C2846
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
Code System Code Type Description
MESH
C070715
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
SMS_ID
100000082063
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
WIKIPEDIA
Celgosivir
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
CAS
121104-96-9
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID70153153
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110737
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
DRUG BANK
DB06580
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
EVMPD
SUB07435MIG
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
NCI_THESAURUS
C79567
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
PUBCHEM
60734
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
FDA UNII
895VG117HN
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
INN
7608
Created by admin on Fri Dec 15 17:40:23 UTC 2023 , Edited by admin on Fri Dec 15 17:40:23 UTC 2023
PRIMARY
Related Record Type Details
Structure of CELGOSIVIR HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of CASTANOSPERMINE
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
Structure of CASTANOSPERMINE
ACTIVE MOIETY
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