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

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H74IN3O21S4
Molecular Weight 1368.348
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CALICHEAMICIN .GAMMA.1I

SMILES

[H][C@@]1(C[C@H](OC)[C@H](CO1)NCC)O[C@@H]2[C@@H](O)[C@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)C4=C(OC)C(OC)=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)C(I)=C4C)[C@@H](C)O3)[C@@H](C)O[C@@]2([H])O[C@H]6C#CC=CC#C[C@]7(O)CC(=O)C(NC(=O)OC)=C6\C7=C/CSSSC

InChI

InChIKey=HXCHCVDVKSCDHU-PJKCJEBCSA-N
InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
CALICHEAMICIN .GAMMA.1I
MI  
Common Name English
LL-E-33288.GAMMA.1-I
Code English
CALICHEAMICIN .GAMMA.1.ALPHA.I
Common Name English
CALICHEMICIN .GAMMA.1
Common Name English
CALICHEAMICIN GAMMA(1)I
Common Name English
CALICHEAMICIN .GAMMA.1I [MI]
Common Name English
Code System Code Type Description
CHEBI
3319
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
FDA UNII
99ZHU54I1K
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
SMS_ID
100000128874
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
MERCK INDEX
m2987
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY Merck Index
CAS
108212-75-5
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID601316375
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
PUBCHEM
10953353
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY
WIKIPEDIA
Calicheamicin
Created by admin on Sat Dec 16 09:40:57 GMT 2023 , Edited by admin on Sat Dec 16 09:40:57 GMT 2023
PRIMARY