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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H64O19
Molecular Weight 920.989
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GITOFORMATE

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC=O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](OC=O)[C@H](O[C@H]7C[C@H](OC=O)[C@H](O[C@H]8C[C@H](OC=O)[C@H](OC=O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=DOMHWKQEPDYUQX-LJAQBGIBSA-N
InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26-,28-,29+,30+,31-,32+,33+,34+,35+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H64O19
Molecular Weight 920.989
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 21 / 21
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:39 UTC 2023
Edited
by admin
on Fri Dec 15 18:25:39 UTC 2023
Record UNII
B69U29O7J9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GITOFORMATE
INN   MART.   WHO-DD  
INN  
Official Name English
AC-2770
Code English
FORMILOXINE
Common Name English
GITOXIN 3',3'',3''',4''',16-PENTAFORMATE
Common Name English
AC 2770
Code English
PENTAFORMYLGITOXIN
Common Name English
GITOXIN, PENTAFORMATE
Common Name English
Gitoformate [WHO-DD]
Common Name English
GITOFORMATE [MART.]
Common Name English
FORMILOXIN
Common Name English
gitoformate [INN]
Common Name English
Classification Tree Code System Code
WHO-VATC QC01AA09
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
WHO-ATC C01AA09
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
Code System Code Type Description
SMS_ID
100000078165
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID80144173
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
PUBCHEM
20055283
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
EVMPD
SUB13968MIG
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103959
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
CAS
10176-39-3
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
INN
3117
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
NCI_THESAURUS
C174636
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
FDA UNII
B69U29O7J9
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
233-450-3
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
WIKIPEDIA
GITOFORMATE
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
DRUG BANK
DB13537
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
DRUG CENTRAL
1296
Created by admin on Fri Dec 15 18:25:39 UTC 2023 , Edited by admin on Fri Dec 15 18:25:39 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY