BINALTORPHIMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H45N3O6
Molecular Weight	675.8125
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC6CC6)[C@]([H])(C4)[C@]5(O)CC7=C2N(C)C8=C7C[C@@]9(O)[C@@]%10([H])CC%11=C%12C(O[C@]8([H])[C@@]9%12CCN%10CC%13CC%13)=C(O)C=C%11

InChI

InChIKey=DKIVQMBUHVYDFC-IWRYZOJTSA-N

InChI=1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29-,36+,37+,38+,39+,40-,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H45N3O6
Molecular Weight	675.8125
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:47:40 UTC 2023` Edited by `admin` on `Sat Dec 16 11:47:40 UTC 2023`
Record UNII	94L0JAS27S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BINALTORPHIMINE

Common Name

English

(4BS,8R,8AS,10AS,11R,14AS,19AR,20BR)-7,12-BIS(CYCLOPROPYLMETHYL)-5,6,7,8,9,10,11,12,13,14,19A,20B-DODECAHYDRO-20-METHYL-4,8:11,15-DIMETHANO-20H-BISBENZOFURO(2,3-A:3',2'-I)DIPYRIDO(4,3-B:3',4'-H)CARBAZOLE-1,8A,10A,18-TETROL

Systematic Name

English

NIH-10588

Code

English

4,8:11,15-DIMETHANO-20H-BISBENZOFURO(2,3-A:3',2'-I)DIPYRIDO(4,3-B:3',4'-H)CARBAZOLE-1,8A,10A,18-TETROL, 7,12-BIS(CYCLOPROPYLMETHYL)-5,6,7,8,9,10,11,12,13,14,19A,20B-DODECAHYDRO-20-METHYL-, (8R-(4BS*,8.ALPHA.,8A.BETA.,10A.ALPHA.,11.BETA.,14AS*,19A.ALPHA.,

Systematic Name

English

Code System Code Type Description

CAS

105618-27-7