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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17N2O5.Na
Molecular Weight 388.3491
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAMPTOTHECIN SODIUM

SMILES

[Na+].CC[C@@](O)(C([O-])=O)C1=C(CO)C(=O)N2CC3=CC4=C(C=CC=C4)N=C3C2=C1

InChI

InChIKey=HPSUBMDJBRNXKK-BDQAORGHSA-M
InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H17N2O5
Molecular Weight 365.3594
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:52 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:52 GMT 2023
Record UNII
3L6CT9UWOM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAMPTOTHECIN SODIUM
Common Name English
CAMPTOTHECINE SODIUM
Common Name English
21,22-SECOCAMPTOTHECIN-21-OIC ACID, MONOSODIUM SALT
Common Name English
SODIUM CAMPTOTHECIN
Common Name English
INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (S)-
Systematic Name English
NSC-100880
Code English
SODIUM CAMPTOTHECINATE
Common Name English
20(S)-CAMPTOTHECIN SODIUM SALT
Common Name English
INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, SODIUM SALT (1:1), (.ALPHA.S)-
Systematic Name English
INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (.ALPHA.S)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1904
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C2344
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
PRIMARY
FDA UNII
3L6CT9UWOM
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
PRIMARY
PUBCHEM
23705698
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
PRIMARY
CAS
25387-67-1
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
PRIMARY
NSC
100880
Created by admin on Fri Dec 15 15:19:53 GMT 2023 , Edited by admin on Fri Dec 15 15:19:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE