Milademetan Tosylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34Cl2FN5O4.C7H8O3S
Molecular Weight	790.728
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2(C)CCC3(CC2)N[C@H]([C@H](C4=C(F)C(Cl)=NC=C4)[C@]35C(=O)NC6=C5C=CC(Cl)=C6)C(=O)N[C@@H]7CC[C@H](OC7)C(N)=O

InChI

InChIKey=NHIUKVHKLJSJEA-LINJWFRASA-N

InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H34Cl2FN5O4
Molecular Weight	618.526
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:09:18 UTC 2023` Edited by `admin` on `Sat Dec 16 12:09:18 UTC 2023`
Record UNII	6M27443B0N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Milademetan Tosylate

Official Name

English

DS 3032b [WHO-DD]

Common Name

English

L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-tr

Systematic Name

English

RAIN-32 Ts

Code

English

MILADEMETAN TOSYLATE [USAN]

Common Name

English

DS-3032B

Code

English

(3′R,4′S,5′R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6′′-chloro-4′-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2′′-oxo-1′′,2′′-dihydrodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-indole]-5′-carboxamide—4-methylbenzene-1-sulf

Systematic Name

English

DS-3032 TOSYLATE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129839