LOCNARTECAN SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H50N7O10.Na
Molecular Weight	919.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCC1=C2CN3C(=CC(=C(CO)C3=O)[C@@](O)(CC)C([O-])=O)C2=NC4=CC=C(OC(=O)N5CCC(CCN6C=CC7=C6C=CC(=C7)N8C(O)=NN=C8C9=CC(C(C)C)=C(O)C=C9O)CC5)C=C14

InChI

InChIKey=WFWTVEWCDYYOEN-YPZRYCBOSA-M

InChI=1S/C49H51N7O10.Na/c1-5-31-33-20-30(8-9-38(33)50-43-35(31)24-55-40(43)22-37(36(25-57)45(55)60)49(65,6-2)46(61)62)66-48(64)54-16-12-27(13-17-54)11-15-53-18-14-28-19-29(7-10-39(28)53)56-44(51-52-47(56)63)34-21-32(26(3)4)41(58)23-42(34)59;/h7-10,14,18-23,26-27,57-59,65H,5-6,11-13,15-17,24-25H2,1-4H3,(H,52,63)(H,61,62);/q;+1/p-1/t49-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C49H50N7O10
Molecular Weight	896.9622
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:35:24 UTC 2023` Edited by `admin` on `Sat Dec 16 05:35:24 UTC 2023`
Record UNII	BP2977E29E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOCNARTECAN SODIUM

Common Name

English

1-PIPERIDINECARBOXYLIC ACID, 4-(2-(5-(3-(2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)-1H-INDOL-1-YL)ETHYL)-, (4S)-4,11-DIETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL

Systematic Name

English

SDC-TRAP 0063 SODIUM

Code

English

Code System Code Type Description

PUBCHEM

153523757

Created by admin on Sat Dec 16 05:35:24 UTC 2023 , Edited by admin on Sat Dec 16 05:35:24 UTC 2023

PRIMARY

FDA UNII

BP2977E29E

Created by admin on Sat Dec 16 05:35:24 UTC 2023 , Edited by admin on Sat Dec 16 05:35:24 UTC 2023

PRIMARY

CAS

2258662-20-1

Created by admin on Sat Dec 16 05:35:24 UTC 2023 , Edited by admin on Sat Dec 16 05:35:24 UTC 2023

PRIMARY

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